USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot -58:sc= 1.25 USER MOD Set 1.2: A 117 HIS : no HE2:sc= 1.12 K(o=2.4,f=-4.8!) USER MOD Set 2.1: A 96 ASN : amide:sc= 0.276 K(o=0.39,f=-5.1!) USER MOD Set 2.2: A 97 SER OG : rot 91:sc= 0.112 USER MOD Set 3.1: A 94 THR OG1 : rot 134:sc= 0.396 USER MOD Set 3.2: A 103 ASN : amide:sc= 0.373 K(o=0.77,f=-0.14) USER MOD Set 4.1: A 79 GLN : amide:sc= 0.91 K(o=2.1,f=-3.7) USER MOD Set 4.2: A 80 GLN : amide:sc= 1.18 K(o=2.1,f=-0.51) USER MOD Set 5.1: A 51 THR OG1 : rot 125:sc= 1.49 USER MOD Set 5.2: A 54 GLN : amide:sc= 0.85 X(o=2.3,f=2) USER MOD Single : A 20 SER OG : rot -11:sc= 0.823 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0368 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.169 K(o=0.17,f=-4.1!) USER MOD Single : A 36 ASN : amide:sc= 0.0163 K(o=0.016,f=-2.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.00313 X(o=-0.0031,f=-0.0031) USER MOD Single : A 44 SER OG : rot 98:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 1.87 (180deg=1.51) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.369 K(o=0.37,f=-6.8!) USER MOD Single : A 53 GLN : amide:sc= -0.272 K(o=-0.27,f=-4.2!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.045 USER MOD Single : A 70 THR OG1 : rot 81:sc= 1.02 USER MOD Single : A 71 ASN : amide:sc= -1.2 K(o=-1.2,f=-1.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.3!) USER MOD Single : A 88 GLN : amide:sc= 1.12 K(o=1.1,f=-7.4!) USER MOD Single : A 89 GLN : amide:sc= -3.26! C(o=-3.3!,f=-13!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 68:sc= 0.121 USER MOD Single : A 98 SER OG : rot 180:sc= -0.312 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.06) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 113 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.37) USER MOD Single : A 116 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.015) USER MOD Single : A 118 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=-0.035) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 121 HIS : no HE2:sc= 0.71 K(o=0.71,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 20 -6.373 -53.303 12.147 1.00 0.00 N ATOM 2 CA SER A 20 -7.529 -53.334 13.061 1.00 0.00 C ATOM 3 C SER A 20 -7.435 -52.227 14.110 1.00 0.00 C ATOM 4 O SER A 20 -8.262 -51.312 14.136 1.00 0.00 O ATOM 5 CB SER A 20 -7.594 -54.698 13.742 1.00 0.00 C ATOM 6 OG SER A 20 -6.489 -55.502 13.359 1.00 0.00 O ATOM 0 HA SER A 20 -8.437 -53.166 12.481 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.599 -54.570 14.824 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.525 -55.199 13.476 1.00 0.00 H new ATOM 0 HG SER A 20 -6.020 -55.078 12.610 1.00 0.00 H new ATOM 14 N SER A 21 -6.409 -52.301 14.951 1.00 0.00 N ATOM 15 CA SER A 21 -6.262 -51.392 16.080 1.00 0.00 C ATOM 16 C SER A 21 -5.794 -49.997 15.650 1.00 0.00 C ATOM 17 O SER A 21 -4.617 -49.652 15.758 1.00 0.00 O ATOM 18 CB SER A 21 -5.288 -52.000 17.082 1.00 0.00 C ATOM 19 OG SER A 21 -5.335 -53.419 17.020 1.00 0.00 O ATOM 0 H SER A 21 -5.660 -52.989 14.870 1.00 0.00 H new ATOM 0 HA SER A 21 -7.241 -51.261 16.542 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.276 -51.654 16.871 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.536 -51.665 18.089 1.00 0.00 H new ATOM 0 HG SER A 21 -4.703 -53.796 17.668 1.00 0.00 H new ATOM 25 N THR A 22 -6.727 -49.209 15.143 1.00 0.00 N ATOM 26 CA THR A 22 -6.467 -47.819 14.797 1.00 0.00 C ATOM 27 C THR A 22 -7.742 -47.000 14.954 1.00 0.00 C ATOM 28 O THR A 22 -8.748 -47.268 14.294 1.00 0.00 O ATOM 29 CB THR A 22 -5.935 -47.678 13.354 1.00 0.00 C ATOM 30 OG1 THR A 22 -4.819 -48.556 13.156 1.00 0.00 O ATOM 31 CG2 THR A 22 -5.513 -46.245 13.064 1.00 0.00 C ATOM 0 H THR A 22 -7.684 -49.512 14.960 1.00 0.00 H new ATOM 0 HA THR A 22 -5.700 -47.446 15.476 1.00 0.00 H new ATOM 0 HB THR A 22 -6.739 -47.947 12.669 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.488 -48.462 12.238 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.143 -46.175 12.041 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.369 -45.582 13.186 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.724 -45.951 13.757 1.00 0.00 H new ATOM 39 N LEU A 23 -7.701 -46.019 15.845 1.00 0.00 N ATOM 40 CA LEU A 23 -8.860 -45.185 16.125 1.00 0.00 C ATOM 41 C LEU A 23 -8.411 -43.790 16.533 1.00 0.00 C ATOM 42 O LEU A 23 -8.342 -43.466 17.719 1.00 0.00 O ATOM 43 CB LEU A 23 -9.729 -45.807 17.226 1.00 0.00 C ATOM 44 CG LEU A 23 -8.963 -46.522 18.346 1.00 0.00 C ATOM 45 CD1 LEU A 23 -9.407 -46.008 19.707 1.00 0.00 C ATOM 46 CD2 LEU A 23 -9.165 -48.028 18.251 1.00 0.00 C ATOM 0 H LEU A 23 -6.872 -45.781 16.389 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.461 -45.115 15.218 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.339 -45.021 17.671 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.414 -46.519 16.766 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.900 -46.309 18.229 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.853 -46.526 20.490 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.213 -44.938 19.773 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.474 -46.191 19.835 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.615 -48.520 19.053 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.226 -48.259 18.344 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.799 -48.384 17.288 1.00 0.00 H new ATOM 58 N GLU A 24 -8.090 -42.972 15.545 1.00 0.00 N ATOM 59 CA GLU A 24 -7.615 -41.624 15.801 1.00 0.00 C ATOM 60 C GLU A 24 -8.771 -40.701 16.160 1.00 0.00 C ATOM 61 O GLU A 24 -9.523 -40.257 15.292 1.00 0.00 O ATOM 62 CB GLU A 24 -6.868 -41.082 14.585 1.00 0.00 C ATOM 63 CG GLU A 24 -5.497 -40.531 14.923 1.00 0.00 C ATOM 64 CD GLU A 24 -4.388 -41.523 14.668 1.00 0.00 C ATOM 65 OE1 GLU A 24 -3.852 -41.544 13.542 1.00 0.00 O ATOM 66 OE2 GLU A 24 -4.029 -42.280 15.594 1.00 0.00 O ATOM 0 H GLU A 24 -8.150 -43.219 14.557 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.929 -41.662 16.647 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.761 -41.878 13.848 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.464 -40.296 14.121 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.317 -39.632 14.334 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.478 -40.234 15.972 1.00 0.00 H new ATOM 73 N ARG A 25 -8.915 -40.428 17.447 1.00 0.00 N ATOM 74 CA ARG A 25 -9.935 -39.509 17.926 1.00 0.00 C ATOM 75 C ARG A 25 -9.289 -38.177 18.288 1.00 0.00 C ATOM 76 O ARG A 25 -9.019 -37.904 19.460 1.00 0.00 O ATOM 77 CB ARG A 25 -10.671 -40.088 19.145 1.00 0.00 C ATOM 78 CG ARG A 25 -10.288 -41.523 19.491 1.00 0.00 C ATOM 79 CD ARG A 25 -11.470 -42.483 19.375 1.00 0.00 C ATOM 80 NE ARG A 25 -12.682 -41.833 18.871 1.00 0.00 N ATOM 81 CZ ARG A 25 -13.578 -42.426 18.079 1.00 0.00 C ATOM 82 NH1 ARG A 25 -13.442 -43.706 17.748 1.00 0.00 N ATOM 83 NH2 ARG A 25 -14.616 -41.738 17.629 1.00 0.00 N ATOM 0 H ARG A 25 -8.335 -40.832 18.182 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.667 -39.357 17.133 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.472 -39.454 20.009 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.744 -40.046 18.959 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.488 -41.853 18.828 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.894 -41.557 20.507 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.201 -43.305 18.711 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.676 -42.918 20.353 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.852 -40.865 19.143 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.649 -44.242 18.100 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.131 -44.152 17.142 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.729 -40.758 17.888 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.302 -42.188 17.024 1.00 0.00 H new ATOM 97 N VAL A 26 -9.019 -37.363 17.275 1.00 0.00 N ATOM 98 CA VAL A 26 -8.323 -36.101 17.476 1.00 0.00 C ATOM 99 C VAL A 26 -9.294 -34.928 17.480 1.00 0.00 C ATOM 100 O VAL A 26 -10.037 -34.714 16.520 1.00 0.00 O ATOM 101 CB VAL A 26 -7.253 -35.859 16.390 1.00 0.00 C ATOM 102 CG1 VAL A 26 -6.238 -34.827 16.859 1.00 0.00 C ATOM 103 CG2 VAL A 26 -6.564 -37.161 16.011 1.00 0.00 C ATOM 0 H VAL A 26 -9.272 -37.556 16.306 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.833 -36.170 18.447 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.750 -35.469 15.502 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.492 -34.670 16.080 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.746 -33.886 17.069 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.747 -35.185 17.764 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.814 -36.966 15.244 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.081 -37.587 16.891 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.302 -37.865 15.626 1.00 0.00 H new ATOM 113 N VAL A 27 -9.293 -34.185 18.575 1.00 0.00 N ATOM 114 CA VAL A 27 -10.073 -32.962 18.673 1.00 0.00 C ATOM 115 C VAL A 27 -9.146 -31.757 18.617 1.00 0.00 C ATOM 116 O VAL A 27 -7.975 -31.846 18.996 1.00 0.00 O ATOM 117 CB VAL A 27 -10.910 -32.900 19.972 1.00 0.00 C ATOM 118 CG1 VAL A 27 -12.060 -33.892 19.917 1.00 0.00 C ATOM 119 CG2 VAL A 27 -10.042 -33.149 21.199 1.00 0.00 C ATOM 0 H VAL A 27 -8.757 -34.410 19.413 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.765 -32.952 17.831 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.325 -31.896 20.055 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.636 -33.832 20.840 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.705 -33.655 19.071 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.665 -34.901 19.800 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.658 -33.099 22.097 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.585 -34.136 21.127 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.261 -32.390 21.252 1.00 0.00 H new ATOM 129 N TYR A 28 -9.659 -30.637 18.146 1.00 0.00 N ATOM 130 CA TYR A 28 -8.866 -29.426 18.072 1.00 0.00 C ATOM 131 C TYR A 28 -8.913 -28.692 19.401 1.00 0.00 C ATOM 132 O TYR A 28 -9.977 -28.254 19.841 1.00 0.00 O ATOM 133 CB TYR A 28 -9.362 -28.507 16.949 1.00 0.00 C ATOM 134 CG TYR A 28 -8.738 -27.123 16.975 1.00 0.00 C ATOM 135 CD1 TYR A 28 -7.464 -26.902 16.463 1.00 0.00 C ATOM 136 CD2 TYR A 28 -9.420 -26.041 17.519 1.00 0.00 C ATOM 137 CE1 TYR A 28 -6.890 -25.644 16.494 1.00 0.00 C ATOM 138 CE2 TYR A 28 -8.854 -24.781 17.552 1.00 0.00 C ATOM 139 CZ TYR A 28 -7.588 -24.586 17.039 1.00 0.00 C ATOM 140 OH TYR A 28 -7.022 -23.331 17.072 1.00 0.00 O ATOM 0 H TYR A 28 -10.617 -30.541 17.810 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.837 -29.708 17.851 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.149 -28.974 15.988 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -10.445 -28.409 17.023 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.914 -27.726 16.034 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.411 -26.188 17.923 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.899 -25.490 16.093 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.400 -23.952 17.978 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.647 -22.701 17.487 1.00 0.00 H new ATOM 150 N ARG A 29 -7.768 -28.580 20.052 1.00 0.00 N ATOM 151 CA ARG A 29 -7.676 -27.793 21.266 1.00 0.00 C ATOM 152 C ARG A 29 -7.551 -26.317 20.910 1.00 0.00 C ATOM 153 O ARG A 29 -6.616 -25.923 20.214 1.00 0.00 O ATOM 154 CB ARG A 29 -6.489 -28.233 22.129 1.00 0.00 C ATOM 155 CG ARG A 29 -5.201 -28.448 21.351 1.00 0.00 C ATOM 156 CD ARG A 29 -3.977 -28.005 22.146 1.00 0.00 C ATOM 157 NE ARG A 29 -4.229 -27.979 23.594 1.00 0.00 N ATOM 158 CZ ARG A 29 -3.756 -28.877 24.460 1.00 0.00 C ATOM 159 NH1 ARG A 29 -3.010 -29.893 24.040 1.00 0.00 N ATOM 160 NH2 ARG A 29 -4.030 -28.755 25.754 1.00 0.00 N ATOM 0 H ARG A 29 -6.895 -29.021 19.762 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.584 -27.952 21.847 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.315 -27.481 22.898 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.750 -29.159 22.642 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.104 -29.503 21.093 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.246 -27.893 20.414 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.147 -28.680 21.936 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.672 -27.012 21.815 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.805 -27.222 23.962 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.794 -29.991 23.048 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.653 -30.575 24.710 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.601 -27.976 26.083 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.670 -29.440 26.418 1.00 0.00 H new ATOM 174 N PRO A 30 -8.502 -25.485 21.361 1.00 0.00 N ATOM 175 CA PRO A 30 -8.478 -24.034 21.131 1.00 0.00 C ATOM 176 C PRO A 30 -7.381 -23.329 21.933 1.00 0.00 C ATOM 177 O PRO A 30 -7.561 -22.203 22.401 1.00 0.00 O ATOM 178 CB PRO A 30 -9.867 -23.562 21.595 1.00 0.00 C ATOM 179 CG PRO A 30 -10.677 -24.805 21.762 1.00 0.00 C ATOM 180 CD PRO A 30 -9.699 -25.889 22.107 1.00 0.00 C ATOM 0 HA PRO A 30 -8.263 -23.800 20.088 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.800 -23.008 22.532 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.320 -22.894 20.862 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.420 -24.684 22.550 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.219 -25.044 20.847 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.511 -25.940 23.179 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.057 -26.872 21.799 1.00 0.00 H new ATOM 188 N ASP A 31 -6.247 -23.999 22.083 1.00 0.00 N ATOM 189 CA ASP A 31 -5.097 -23.430 22.762 1.00 0.00 C ATOM 190 C ASP A 31 -4.303 -22.618 21.764 1.00 0.00 C ATOM 191 O ASP A 31 -3.975 -23.115 20.684 1.00 0.00 O ATOM 192 CB ASP A 31 -4.220 -24.531 23.359 1.00 0.00 C ATOM 193 CG ASP A 31 -4.664 -24.930 24.748 1.00 0.00 C ATOM 194 OD1 ASP A 31 -4.225 -24.293 25.727 1.00 0.00 O ATOM 195 OD2 ASP A 31 -5.460 -25.886 24.869 1.00 0.00 O ATOM 0 H ASP A 31 -6.101 -24.948 21.738 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.437 -22.793 23.579 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.244 -25.405 22.708 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.186 -24.189 23.395 1.00 0.00 H new ATOM 200 N ILE A 32 -4.013 -21.375 22.123 1.00 0.00 N ATOM 201 CA ILE A 32 -3.414 -20.421 21.201 1.00 0.00 C ATOM 202 C ILE A 32 -4.460 -19.999 20.176 1.00 0.00 C ATOM 203 O ILE A 32 -4.704 -20.697 19.188 1.00 0.00 O ATOM 204 CB ILE A 32 -2.166 -20.982 20.476 1.00 0.00 C ATOM 205 CG1 ILE A 32 -1.073 -21.334 21.485 1.00 0.00 C ATOM 206 CG2 ILE A 32 -1.642 -19.982 19.455 1.00 0.00 C ATOM 207 CD1 ILE A 32 0.055 -22.137 20.879 1.00 0.00 C ATOM 0 H ILE A 32 -4.185 -21.001 23.056 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.077 -19.566 21.787 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.458 -21.891 19.949 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.670 -20.415 21.910 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.513 -21.899 22.307 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.765 -20.396 18.957 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.416 -19.777 18.716 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.369 -19.056 19.960 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.799 -22.355 21.645 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.338 -23.071 20.478 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.519 -21.564 20.076 1.00 0.00 H new ATOM 219 N ASN A 33 -5.092 -18.869 20.440 1.00 0.00 N ATOM 220 CA ASN A 33 -6.174 -18.375 19.596 1.00 0.00 C ATOM 221 C ASN A 33 -5.633 -17.860 18.266 1.00 0.00 C ATOM 222 O ASN A 33 -5.386 -16.665 18.098 1.00 0.00 O ATOM 223 CB ASN A 33 -6.958 -17.275 20.320 1.00 0.00 C ATOM 224 CG ASN A 33 -8.460 -17.478 20.231 1.00 0.00 C ATOM 225 OD1 ASN A 33 -9.008 -17.685 19.147 1.00 0.00 O ATOM 226 ND2 ASN A 33 -9.139 -17.420 21.371 1.00 0.00 N ATOM 0 H ASN A 33 -4.875 -18.270 21.237 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.851 -19.204 19.389 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.659 -17.250 21.368 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.699 -16.307 19.892 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.151 -17.549 21.369 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.649 -17.247 22.248 1.00 0.00 H new ATOM 233 N GLN A 34 -5.443 -18.782 17.329 1.00 0.00 N ATOM 234 CA GLN A 34 -4.929 -18.454 16.008 1.00 0.00 C ATOM 235 C GLN A 34 -5.979 -17.706 15.192 1.00 0.00 C ATOM 236 O GLN A 34 -7.149 -17.638 15.581 1.00 0.00 O ATOM 237 CB GLN A 34 -4.497 -19.731 15.283 1.00 0.00 C ATOM 238 CG GLN A 34 -2.988 -19.898 15.181 1.00 0.00 C ATOM 239 CD GLN A 34 -2.288 -18.662 14.646 1.00 0.00 C ATOM 240 OE1 GLN A 34 -2.814 -17.950 13.790 1.00 0.00 O ATOM 241 NE2 GLN A 34 -1.095 -18.394 15.150 1.00 0.00 N ATOM 0 H GLN A 34 -5.641 -19.773 17.464 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.062 -17.804 16.123 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.914 -20.593 15.804 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.922 -19.729 14.279 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.587 -20.138 16.166 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.765 -20.745 14.532 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.691 -19.007 15.858 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.579 -17.574 14.831 1.00 0.00 H new ATOM 250 N GLY A 35 -5.559 -17.155 14.061 1.00 0.00 N ATOM 251 CA GLY A 35 -6.445 -16.334 13.262 1.00 0.00 C ATOM 252 C GLY A 35 -6.617 -14.962 13.875 1.00 0.00 C ATOM 253 O GLY A 35 -7.737 -14.510 14.116 1.00 0.00 O ATOM 0 H GLY A 35 -4.618 -17.263 13.682 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.045 -16.237 12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.416 -16.821 13.174 1.00 0.00 H new ATOM 257 N ASN A 36 -5.501 -14.302 14.142 1.00 0.00 N ATOM 258 CA ASN A 36 -5.520 -13.020 14.835 1.00 0.00 C ATOM 259 C ASN A 36 -4.478 -12.077 14.255 1.00 0.00 C ATOM 260 O ASN A 36 -3.773 -12.425 13.307 1.00 0.00 O ATOM 261 CB ASN A 36 -5.268 -13.228 16.328 1.00 0.00 C ATOM 262 CG ASN A 36 -6.338 -12.583 17.190 1.00 0.00 C ATOM 263 OD1 ASN A 36 -6.535 -11.369 17.152 1.00 0.00 O ATOM 264 ND2 ASN A 36 -7.032 -13.391 17.979 1.00 0.00 N ATOM 0 H ASN A 36 -4.569 -14.632 13.890 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.503 -12.570 14.698 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.228 -14.296 16.542 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.295 -12.814 16.591 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.760 -13.011 18.584 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.838 -14.392 17.981 1.00 0.00 H new ATOM 271 N TYR A 37 -4.381 -10.889 14.830 1.00 0.00 N ATOM 272 CA TYR A 37 -3.418 -9.895 14.382 1.00 0.00 C ATOM 273 C TYR A 37 -2.108 -10.053 15.141 1.00 0.00 C ATOM 274 O TYR A 37 -2.084 -10.589 16.252 1.00 0.00 O ATOM 275 CB TYR A 37 -3.974 -8.487 14.598 1.00 0.00 C ATOM 276 CG TYR A 37 -5.103 -8.120 13.662 1.00 0.00 C ATOM 277 CD1 TYR A 37 -4.850 -7.802 12.336 1.00 0.00 C ATOM 278 CD2 TYR A 37 -6.420 -8.082 14.107 1.00 0.00 C ATOM 279 CE1 TYR A 37 -5.875 -7.456 11.478 1.00 0.00 C ATOM 280 CE2 TYR A 37 -7.452 -7.739 13.253 1.00 0.00 C ATOM 281 CZ TYR A 37 -7.172 -7.426 11.940 1.00 0.00 C ATOM 282 OH TYR A 37 -8.194 -7.076 11.087 1.00 0.00 O ATOM 0 H TYR A 37 -4.961 -10.588 15.613 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.233 -10.045 13.318 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.326 -8.400 15.626 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.166 -7.766 14.476 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.835 -7.825 11.969 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.640 -8.324 15.136 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.660 -7.210 10.449 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.470 -7.716 13.612 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.047 -7.105 11.569 1.00 0.00 H new ATOM 292 N LEU A 38 -1.018 -9.585 14.545 1.00 0.00 N ATOM 293 CA LEU A 38 0.280 -9.653 15.197 1.00 0.00 C ATOM 294 C LEU A 38 0.423 -8.523 16.207 1.00 0.00 C ATOM 295 O LEU A 38 -0.051 -7.408 15.983 1.00 0.00 O ATOM 296 CB LEU A 38 1.419 -9.599 14.171 1.00 0.00 C ATOM 297 CG LEU A 38 2.777 -10.096 14.686 1.00 0.00 C ATOM 298 CD1 LEU A 38 2.721 -11.586 14.996 1.00 0.00 C ATOM 299 CD2 LEU A 38 3.874 -9.802 13.672 1.00 0.00 C ATOM 0 H LEU A 38 -1.008 -9.158 13.619 1.00 0.00 H new ATOM 0 HA LEU A 38 0.345 -10.606 15.722 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.136 -10.195 13.304 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.531 -8.570 13.828 1.00 0.00 H new ATOM 0 HG LEU A 38 3.009 -9.563 15.608 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.693 -11.919 15.360 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.965 -11.771 15.760 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.464 -12.137 14.091 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.829 -10.162 14.055 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.646 -10.307 12.733 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.933 -8.727 13.501 1.00 0.00 H new ATOM 311 N THR A 39 1.062 -8.823 17.323 1.00 0.00 N ATOM 312 CA THR A 39 1.254 -7.849 18.381 1.00 0.00 C ATOM 313 C THR A 39 2.674 -7.292 18.348 1.00 0.00 C ATOM 314 O THR A 39 3.617 -8.010 18.017 1.00 0.00 O ATOM 315 CB THR A 39 0.967 -8.482 19.751 1.00 0.00 C ATOM 316 OG1 THR A 39 0.277 -9.727 19.562 1.00 0.00 O ATOM 317 CG2 THR A 39 0.122 -7.555 20.614 1.00 0.00 C ATOM 0 H THR A 39 1.460 -9.741 17.521 1.00 0.00 H new ATOM 0 HA THR A 39 0.555 -7.028 18.220 1.00 0.00 H new ATOM 0 HB THR A 39 1.915 -8.654 20.261 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.094 -10.135 20.434 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.067 -8.027 21.578 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.654 -6.616 20.768 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.827 -7.358 20.115 1.00 0.00 H new ATOM 325 N ALA A 40 2.821 -6.022 18.700 1.00 0.00 N ATOM 326 CA ALA A 40 4.106 -5.341 18.599 1.00 0.00 C ATOM 327 C ALA A 40 5.120 -5.916 19.585 1.00 0.00 C ATOM 328 O ALA A 40 6.290 -6.100 19.250 1.00 0.00 O ATOM 329 CB ALA A 40 3.935 -3.846 18.833 1.00 0.00 C ATOM 0 H ALA A 40 2.064 -5.440 19.059 1.00 0.00 H new ATOM 0 HA ALA A 40 4.488 -5.501 17.591 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.904 -3.352 18.754 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.257 -3.436 18.085 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.522 -3.678 19.828 1.00 0.00 H new ATOM 335 N ASN A 41 4.657 -6.205 20.797 1.00 0.00 N ATOM 336 CA ASN A 41 5.521 -6.748 21.844 1.00 0.00 C ATOM 337 C ASN A 41 6.015 -8.145 21.476 1.00 0.00 C ATOM 338 O ASN A 41 7.119 -8.547 21.848 1.00 0.00 O ATOM 339 CB ASN A 41 4.771 -6.784 23.184 1.00 0.00 C ATOM 340 CG ASN A 41 5.362 -7.773 24.176 1.00 0.00 C ATOM 341 OD1 ASN A 41 6.370 -7.496 24.829 1.00 0.00 O ATOM 342 ND2 ASN A 41 4.734 -8.930 24.294 1.00 0.00 N ATOM 0 H ASN A 41 3.686 -6.072 21.081 1.00 0.00 H new ATOM 0 HA ASN A 41 6.389 -6.096 21.941 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.781 -5.787 23.625 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.728 -7.042 23.002 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.081 -9.634 24.945 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.903 -9.118 23.734 1.00 0.00 H new ATOM 349 N ASP A 42 5.206 -8.868 20.719 1.00 0.00 N ATOM 350 CA ASP A 42 5.545 -10.228 20.318 1.00 0.00 C ATOM 351 C ASP A 42 6.685 -10.233 19.299 1.00 0.00 C ATOM 352 O ASP A 42 7.363 -11.238 19.110 1.00 0.00 O ATOM 353 CB ASP A 42 4.314 -10.938 19.750 1.00 0.00 C ATOM 354 CG ASP A 42 4.210 -12.374 20.225 1.00 0.00 C ATOM 355 OD1 ASP A 42 5.088 -13.189 19.878 1.00 0.00 O ATOM 356 OD2 ASP A 42 3.253 -12.693 20.965 1.00 0.00 O ATOM 0 H ASP A 42 4.307 -8.537 20.368 1.00 0.00 H new ATOM 0 HA ASP A 42 5.883 -10.768 21.202 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.416 -10.394 20.043 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.357 -10.920 18.661 1.00 0.00 H new ATOM 361 N VAL A 43 6.898 -9.099 18.645 1.00 0.00 N ATOM 362 CA VAL A 43 7.954 -8.981 17.646 1.00 0.00 C ATOM 363 C VAL A 43 9.308 -8.665 18.293 1.00 0.00 C ATOM 364 O VAL A 43 10.358 -8.857 17.684 1.00 0.00 O ATOM 365 CB VAL A 43 7.622 -7.889 16.602 1.00 0.00 C ATOM 366 CG1 VAL A 43 8.547 -7.984 15.398 1.00 0.00 C ATOM 367 CG2 VAL A 43 6.170 -7.991 16.163 1.00 0.00 C ATOM 0 H VAL A 43 6.354 -8.248 18.787 1.00 0.00 H new ATOM 0 HA VAL A 43 8.019 -9.946 17.144 1.00 0.00 H new ATOM 0 HB VAL A 43 7.776 -6.918 17.073 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.291 -7.205 14.680 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.580 -7.854 15.722 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.434 -8.961 14.928 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.956 -7.214 15.429 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.992 -8.970 15.718 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.519 -7.862 17.027 1.00 0.00 H new ATOM 377 N SER A 44 9.283 -8.209 19.538 1.00 0.00 N ATOM 378 CA SER A 44 10.497 -7.746 20.215 1.00 0.00 C ATOM 379 C SER A 44 11.478 -8.885 20.520 1.00 0.00 C ATOM 380 O SER A 44 12.608 -8.635 20.946 1.00 0.00 O ATOM 381 CB SER A 44 10.127 -7.024 21.509 1.00 0.00 C ATOM 382 OG SER A 44 8.786 -6.567 21.466 1.00 0.00 O ATOM 0 H SER A 44 8.437 -8.148 20.104 1.00 0.00 H new ATOM 0 HA SER A 44 11.001 -7.061 19.533 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.259 -7.697 22.356 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.799 -6.180 21.664 1.00 0.00 H new ATOM 0 HG SER A 44 8.209 -7.202 21.939 1.00 0.00 H new ATOM 388 N LYS A 45 11.057 -10.129 20.304 1.00 0.00 N ATOM 389 CA LYS A 45 11.922 -11.275 20.575 1.00 0.00 C ATOM 390 C LYS A 45 12.793 -11.615 19.364 1.00 0.00 C ATOM 391 O LYS A 45 13.692 -12.450 19.458 1.00 0.00 O ATOM 392 CB LYS A 45 11.106 -12.505 20.996 1.00 0.00 C ATOM 393 CG LYS A 45 9.667 -12.481 20.522 1.00 0.00 C ATOM 394 CD LYS A 45 9.195 -13.861 20.091 1.00 0.00 C ATOM 395 CE LYS A 45 8.117 -14.398 21.021 1.00 0.00 C ATOM 396 NZ LYS A 45 6.965 -14.959 20.269 1.00 0.00 N ATOM 0 H LYS A 45 10.132 -10.368 19.946 1.00 0.00 H new ATOM 0 HA LYS A 45 12.574 -10.994 21.402 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.591 -13.400 20.607 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.119 -12.582 22.083 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.026 -12.110 21.322 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.570 -11.786 19.688 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.808 -13.813 19.073 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.041 -14.548 20.078 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.542 -15.170 21.662 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.769 -13.597 21.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.292 -15.390 20.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.491 -14.198 19.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.304 -15.682 19.603 1.00 0.00 H new ATOM 410 N ILE A 46 12.528 -10.970 18.228 1.00 0.00 N ATOM 411 CA ILE A 46 13.340 -11.177 17.031 1.00 0.00 C ATOM 412 C ILE A 46 14.171 -9.930 16.736 1.00 0.00 C ATOM 413 O ILE A 46 13.841 -8.833 17.192 1.00 0.00 O ATOM 414 CB ILE A 46 12.485 -11.545 15.793 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.574 -10.388 15.395 1.00 0.00 C ATOM 416 CG2 ILE A 46 11.666 -12.797 16.062 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.763 -9.936 13.967 1.00 0.00 C ATOM 0 H ILE A 46 11.763 -10.305 18.112 1.00 0.00 H new ATOM 0 HA ILE A 46 14.000 -12.021 17.234 1.00 0.00 H new ATOM 0 HB ILE A 46 13.163 -11.745 14.963 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.536 -10.688 15.538 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.758 -9.545 16.062 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.072 -13.040 15.181 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.335 -13.627 16.289 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.003 -12.623 16.910 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.083 -9.111 13.753 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.792 -9.605 13.823 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.551 -10.765 13.292 1.00 0.00 H new ATOM 429 N ARG A 47 15.244 -10.100 15.975 1.00 0.00 N ATOM 430 CA ARG A 47 16.191 -9.017 15.736 1.00 0.00 C ATOM 431 C ARG A 47 16.588 -8.950 14.275 1.00 0.00 C ATOM 432 O ARG A 47 16.443 -9.925 13.537 1.00 0.00 O ATOM 433 CB ARG A 47 17.459 -9.225 16.568 1.00 0.00 C ATOM 434 CG ARG A 47 17.206 -9.640 18.003 1.00 0.00 C ATOM 435 CD ARG A 47 18.007 -8.795 18.971 1.00 0.00 C ATOM 436 NE ARG A 47 17.971 -9.345 20.320 1.00 0.00 N ATOM 437 CZ ARG A 47 18.977 -10.007 20.886 1.00 0.00 C ATOM 438 NH1 ARG A 47 20.100 -10.226 20.213 1.00 0.00 N ATOM 439 NH2 ARG A 47 18.854 -10.461 22.120 1.00 0.00 N ATOM 0 H ARG A 47 15.481 -10.977 15.512 1.00 0.00 H new ATOM 0 HA ARG A 47 15.700 -8.087 16.022 1.00 0.00 H new ATOM 0 HB2 ARG A 47 18.074 -9.985 16.086 1.00 0.00 H new ATOM 0 HB3 ARG A 47 18.036 -8.300 16.567 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.144 -9.546 18.229 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.468 -10.690 18.131 1.00 0.00 H new ATOM 0 HD2 ARG A 47 19.041 -8.732 18.631 1.00 0.00 H new ATOM 0 HD3 ARG A 47 17.612 -7.779 18.981 1.00 0.00 H new ATOM 0 HE ARG A 47 17.119 -9.214 20.866 1.00 0.00 H new ATOM 0 HH11 ARG A 47 20.196 -9.886 19.256 1.00 0.00 H new ATOM 0 HH12 ARG A 47 20.867 -10.734 20.653 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.989 -10.304 22.637 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.624 -10.969 22.556 1.00 0.00 H new ATOM 453 N VAL A 48 17.103 -7.801 13.868 1.00 0.00 N ATOM 454 CA VAL A 48 17.698 -7.659 12.554 1.00 0.00 C ATOM 455 C VAL A 48 19.048 -8.364 12.529 1.00 0.00 C ATOM 456 O VAL A 48 19.748 -8.424 13.542 1.00 0.00 O ATOM 457 CB VAL A 48 17.877 -6.178 12.150 1.00 0.00 C ATOM 458 CG1 VAL A 48 16.548 -5.584 11.711 1.00 0.00 C ATOM 459 CG2 VAL A 48 18.484 -5.367 13.287 1.00 0.00 C ATOM 0 H VAL A 48 17.120 -6.952 14.433 1.00 0.00 H new ATOM 0 HA VAL A 48 17.020 -8.115 11.833 1.00 0.00 H new ATOM 0 HB VAL A 48 18.569 -6.137 11.309 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.691 -4.541 11.430 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.165 -6.141 10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.834 -5.644 12.532 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.598 -4.329 12.973 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.829 -5.413 14.157 1.00 0.00 H new ATOM 0 HG23 VAL A 48 19.460 -5.777 13.546 1.00 0.00 H new ATOM 469 N GLY A 49 19.404 -8.904 11.379 1.00 0.00 N ATOM 470 CA GLY A 49 20.608 -9.703 11.263 1.00 0.00 C ATOM 471 C GLY A 49 20.385 -11.127 11.717 1.00 0.00 C ATOM 472 O GLY A 49 21.251 -11.988 11.548 1.00 0.00 O ATOM 0 H GLY A 49 18.876 -8.804 10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.947 -9.701 10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.402 -9.252 11.859 1.00 0.00 H new ATOM 476 N MET A 50 19.222 -11.371 12.297 1.00 0.00 N ATOM 477 CA MET A 50 18.823 -12.715 12.665 1.00 0.00 C ATOM 478 C MET A 50 18.322 -13.434 11.426 1.00 0.00 C ATOM 479 O MET A 50 17.669 -12.827 10.572 1.00 0.00 O ATOM 480 CB MET A 50 17.726 -12.685 13.734 1.00 0.00 C ATOM 481 CG MET A 50 18.257 -12.621 15.157 1.00 0.00 C ATOM 482 SD MET A 50 19.199 -14.087 15.619 1.00 0.00 S ATOM 483 CE MET A 50 18.476 -14.465 17.213 1.00 0.00 C ATOM 0 H MET A 50 18.536 -10.651 12.523 1.00 0.00 H new ATOM 0 HA MET A 50 19.682 -13.242 13.080 1.00 0.00 H new ATOM 0 HB2 MET A 50 17.083 -11.823 13.557 1.00 0.00 H new ATOM 0 HB3 MET A 50 17.104 -13.574 13.628 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.889 -11.740 15.264 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.421 -12.500 15.846 1.00 0.00 H new ATOM 0 HE1 MET A 50 18.956 -15.351 17.629 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.623 -13.622 17.888 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.409 -14.653 17.093 1.00 0.00 H new ATOM 493 N THR A 51 18.648 -14.708 11.315 1.00 0.00 N ATOM 494 CA THR A 51 18.223 -15.505 10.184 1.00 0.00 C ATOM 495 C THR A 51 16.708 -15.713 10.215 1.00 0.00 C ATOM 496 O THR A 51 16.096 -15.743 11.294 1.00 0.00 O ATOM 497 CB THR A 51 18.940 -16.863 10.197 1.00 0.00 C ATOM 498 OG1 THR A 51 19.696 -16.991 11.413 1.00 0.00 O ATOM 499 CG2 THR A 51 19.873 -16.994 9.002 1.00 0.00 C ATOM 0 H THR A 51 19.209 -15.214 12.000 1.00 0.00 H new ATOM 0 HA THR A 51 18.483 -14.974 9.268 1.00 0.00 H new ATOM 0 HB THR A 51 18.191 -17.653 10.139 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.436 -17.816 11.874 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.370 -17.964 9.033 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.297 -16.910 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.621 -16.202 9.036 1.00 0.00 H new ATOM 507 N GLN A 52 16.108 -15.859 9.037 1.00 0.00 N ATOM 508 CA GLN A 52 14.661 -16.008 8.912 1.00 0.00 C ATOM 509 C GLN A 52 14.169 -17.238 9.674 1.00 0.00 C ATOM 510 O GLN A 52 13.036 -17.268 10.153 1.00 0.00 O ATOM 511 CB GLN A 52 14.251 -16.085 7.430 1.00 0.00 C ATOM 512 CG GLN A 52 14.422 -17.461 6.794 1.00 0.00 C ATOM 513 CD GLN A 52 15.793 -17.657 6.179 1.00 0.00 C ATOM 514 OE1 GLN A 52 16.811 -17.315 6.780 1.00 0.00 O ATOM 515 NE2 GLN A 52 15.832 -18.209 4.977 1.00 0.00 N ATOM 0 H GLN A 52 16.607 -15.877 8.148 1.00 0.00 H new ATOM 0 HA GLN A 52 14.191 -15.129 9.354 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.207 -15.785 7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.841 -15.363 6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 52 14.254 -18.229 7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.661 -17.598 6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 52 14.966 -18.479 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.729 -18.365 4.516 1.00 0.00 H new ATOM 524 N GLN A 53 15.033 -18.238 9.808 1.00 0.00 N ATOM 525 CA GLN A 53 14.685 -19.447 10.542 1.00 0.00 C ATOM 526 C GLN A 53 14.539 -19.135 12.022 1.00 0.00 C ATOM 527 O GLN A 53 13.643 -19.644 12.685 1.00 0.00 O ATOM 528 CB GLN A 53 15.743 -20.527 10.341 1.00 0.00 C ATOM 529 CG GLN A 53 15.833 -21.029 8.913 1.00 0.00 C ATOM 530 CD GLN A 53 16.996 -20.421 8.159 1.00 0.00 C ATOM 531 OE1 GLN A 53 17.693 -19.544 8.669 1.00 0.00 O ATOM 532 NE2 GLN A 53 17.216 -20.880 6.939 1.00 0.00 N ATOM 0 H GLN A 53 15.976 -18.235 9.419 1.00 0.00 H new ATOM 0 HA GLN A 53 13.735 -19.819 10.158 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.714 -20.133 10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.523 -21.367 11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.935 -22.114 8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.905 -20.798 8.391 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.615 -21.608 6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.986 -20.506 6.385 1.00 0.00 H new ATOM 541 N GLN A 54 15.411 -18.275 12.529 1.00 0.00 N ATOM 542 CA GLN A 54 15.379 -17.895 13.933 1.00 0.00 C ATOM 543 C GLN A 54 14.157 -17.037 14.211 1.00 0.00 C ATOM 544 O GLN A 54 13.516 -17.170 15.257 1.00 0.00 O ATOM 545 CB GLN A 54 16.653 -17.142 14.316 1.00 0.00 C ATOM 546 CG GLN A 54 17.780 -18.050 14.784 1.00 0.00 C ATOM 547 CD GLN A 54 18.057 -19.189 13.822 1.00 0.00 C ATOM 548 OE1 GLN A 54 18.606 -18.986 12.743 1.00 0.00 O ATOM 549 NE2 GLN A 54 17.664 -20.392 14.199 1.00 0.00 N ATOM 0 H GLN A 54 16.150 -17.827 11.988 1.00 0.00 H new ATOM 0 HA GLN A 54 15.321 -18.800 14.537 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.996 -16.565 13.457 1.00 0.00 H new ATOM 0 HB3 GLN A 54 16.420 -16.429 15.107 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.687 -17.459 14.911 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.527 -18.460 15.762 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.211 -20.520 15.104 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.813 -21.193 13.585 1.00 0.00 H new ATOM 558 N VAL A 55 13.834 -16.163 13.265 1.00 0.00 N ATOM 559 CA VAL A 55 12.614 -15.370 13.352 1.00 0.00 C ATOM 560 C VAL A 55 11.401 -16.296 13.409 1.00 0.00 C ATOM 561 O VAL A 55 10.507 -16.125 14.242 1.00 0.00 O ATOM 562 CB VAL A 55 12.468 -14.410 12.152 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.217 -13.555 12.294 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.703 -13.534 12.014 1.00 0.00 C ATOM 0 H VAL A 55 14.397 -15.986 12.433 1.00 0.00 H new ATOM 0 HA VAL A 55 12.673 -14.770 14.260 1.00 0.00 H new ATOM 0 HB VAL A 55 12.369 -15.009 11.247 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.134 -12.886 11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.339 -14.199 12.337 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.281 -12.966 13.209 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.581 -12.864 11.163 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.835 -12.946 12.922 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.580 -14.163 11.858 1.00 0.00 H new ATOM 574 N ALA A 56 11.401 -17.297 12.536 1.00 0.00 N ATOM 575 CA ALA A 56 10.327 -18.277 12.488 1.00 0.00 C ATOM 576 C ALA A 56 10.306 -19.128 13.754 1.00 0.00 C ATOM 577 O ALA A 56 9.247 -19.538 14.215 1.00 0.00 O ATOM 578 CB ALA A 56 10.477 -19.156 11.257 1.00 0.00 C ATOM 0 H ALA A 56 12.139 -17.450 11.848 1.00 0.00 H new ATOM 0 HA ALA A 56 9.378 -17.744 12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.668 -19.886 11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.437 -18.537 10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.434 -19.676 11.296 1.00 0.00 H new ATOM 584 N TYR A 57 11.480 -19.382 14.315 1.00 0.00 N ATOM 585 CA TYR A 57 11.595 -20.186 15.525 1.00 0.00 C ATOM 586 C TYR A 57 11.039 -19.443 16.738 1.00 0.00 C ATOM 587 O TYR A 57 10.469 -20.050 17.645 1.00 0.00 O ATOM 588 CB TYR A 57 13.056 -20.568 15.771 1.00 0.00 C ATOM 589 CG TYR A 57 13.396 -21.966 15.306 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.727 -23.070 15.818 1.00 0.00 C ATOM 591 CD2 TYR A 57 14.381 -22.182 14.350 1.00 0.00 C ATOM 592 CE1 TYR A 57 13.029 -24.348 15.393 1.00 0.00 C ATOM 593 CE2 TYR A 57 14.686 -23.458 13.918 1.00 0.00 C ATOM 594 CZ TYR A 57 14.007 -24.536 14.443 1.00 0.00 C ATOM 595 OH TYR A 57 14.305 -25.809 14.010 1.00 0.00 O ATOM 0 H TYR A 57 12.370 -19.042 13.950 1.00 0.00 H new ATOM 0 HA TYR A 57 11.007 -21.092 15.382 1.00 0.00 H new ATOM 0 HB2 TYR A 57 13.702 -19.855 15.258 1.00 0.00 H new ATOM 0 HB3 TYR A 57 13.272 -20.485 16.836 1.00 0.00 H new ATOM 0 HD1 TYR A 57 11.957 -22.926 16.562 1.00 0.00 H new ATOM 0 HD2 TYR A 57 14.916 -21.339 13.938 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.501 -25.196 15.804 1.00 0.00 H new ATOM 0 HE2 TYR A 57 15.453 -23.610 13.173 1.00 0.00 H new ATOM 0 HH TYR A 57 15.017 -25.768 13.338 1.00 0.00 H new ATOM 605 N ALA A 58 11.213 -18.131 16.747 1.00 0.00 N ATOM 606 CA ALA A 58 10.775 -17.313 17.869 1.00 0.00 C ATOM 607 C ALA A 58 9.296 -16.937 17.768 1.00 0.00 C ATOM 608 O ALA A 58 8.604 -16.834 18.782 1.00 0.00 O ATOM 609 CB ALA A 58 11.631 -16.060 17.969 1.00 0.00 C ATOM 0 H ALA A 58 11.654 -17.609 15.990 1.00 0.00 H new ATOM 0 HA ALA A 58 10.896 -17.909 18.774 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.295 -15.456 18.811 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.673 -16.342 18.118 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.540 -15.483 17.049 1.00 0.00 H new ATOM 615 N LEU A 59 8.813 -16.718 16.556 1.00 0.00 N ATOM 616 CA LEU A 59 7.435 -16.275 16.365 1.00 0.00 C ATOM 617 C LEU A 59 6.503 -17.431 16.017 1.00 0.00 C ATOM 618 O LEU A 59 5.344 -17.448 16.432 1.00 0.00 O ATOM 619 CB LEU A 59 7.369 -15.209 15.272 1.00 0.00 C ATOM 620 CG LEU A 59 7.363 -13.763 15.776 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.593 -12.797 14.623 1.00 0.00 C ATOM 622 CD2 LEU A 59 6.051 -13.446 16.484 1.00 0.00 C ATOM 0 H LEU A 59 9.346 -16.837 15.695 1.00 0.00 H new ATOM 0 HA LEU A 59 7.098 -15.851 17.311 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.221 -15.341 14.605 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.470 -15.374 14.678 1.00 0.00 H new ATOM 0 HG LEU A 59 8.176 -13.646 16.493 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.586 -11.774 14.999 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.557 -13.007 14.160 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.801 -12.918 13.884 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.067 -12.414 16.835 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.221 -13.581 15.790 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.925 -14.116 17.334 1.00 0.00 H new ATOM 634 N GLY A 60 7.011 -18.401 15.271 1.00 0.00 N ATOM 635 CA GLY A 60 6.167 -19.475 14.780 1.00 0.00 C ATOM 636 C GLY A 60 5.835 -19.286 13.313 1.00 0.00 C ATOM 637 O GLY A 60 4.950 -19.948 12.770 1.00 0.00 O ATOM 0 H GLY A 60 7.991 -18.465 14.996 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.672 -20.431 14.921 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.246 -19.512 15.362 1.00 0.00 H new ATOM 641 N THR A 61 6.556 -18.366 12.688 1.00 0.00 N ATOM 642 CA THR A 61 6.374 -18.028 11.284 1.00 0.00 C ATOM 643 C THR A 61 6.578 -19.239 10.368 1.00 0.00 C ATOM 644 O THR A 61 7.467 -20.064 10.596 1.00 0.00 O ATOM 645 CB THR A 61 7.370 -16.924 10.887 1.00 0.00 C ATOM 646 OG1 THR A 61 7.880 -16.290 12.071 1.00 0.00 O ATOM 647 CG2 THR A 61 6.716 -15.885 9.993 1.00 0.00 C ATOM 0 H THR A 61 7.291 -17.828 13.146 1.00 0.00 H new ATOM 0 HA THR A 61 5.348 -17.682 11.161 1.00 0.00 H new ATOM 0 HB THR A 61 8.186 -17.385 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.516 -15.588 11.818 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.446 -15.119 9.731 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.351 -16.365 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.881 -15.424 10.521 1.00 0.00 H new ATOM 655 N PRO A 62 5.733 -19.381 9.337 1.00 0.00 N ATOM 656 CA PRO A 62 5.896 -20.416 8.322 1.00 0.00 C ATOM 657 C PRO A 62 7.048 -20.094 7.375 1.00 0.00 C ATOM 658 O PRO A 62 7.245 -18.937 6.991 1.00 0.00 O ATOM 659 CB PRO A 62 4.561 -20.408 7.560 1.00 0.00 C ATOM 660 CG PRO A 62 3.650 -19.516 8.341 1.00 0.00 C ATOM 661 CD PRO A 62 4.541 -18.567 9.088 1.00 0.00 C ATOM 0 HA PRO A 62 6.132 -21.385 8.762 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.693 -20.038 6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.150 -21.414 7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.972 -18.976 7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.032 -20.094 9.028 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.772 -17.679 8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.082 -18.225 10.016 1.00 0.00 H new ATOM 669 N LEU A 63 7.802 -21.114 6.999 1.00 0.00 N ATOM 670 CA LEU A 63 8.919 -20.936 6.086 1.00 0.00 C ATOM 671 C LEU A 63 8.405 -20.766 4.663 1.00 0.00 C ATOM 672 O LEU A 63 7.912 -21.715 4.053 1.00 0.00 O ATOM 673 CB LEU A 63 9.877 -22.129 6.162 1.00 0.00 C ATOM 674 CG LEU A 63 11.241 -21.826 6.786 1.00 0.00 C ATOM 675 CD1 LEU A 63 11.599 -22.880 7.824 1.00 0.00 C ATOM 676 CD2 LEU A 63 12.315 -21.747 5.707 1.00 0.00 C ATOM 0 H LEU A 63 7.661 -22.074 7.312 1.00 0.00 H new ATOM 0 HA LEU A 63 9.465 -20.039 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.400 -22.923 6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.033 -22.515 5.155 1.00 0.00 H new ATOM 0 HG LEU A 63 11.185 -20.859 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.572 -22.648 8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.844 -22.887 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.637 -23.860 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.279 -21.531 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.371 -22.699 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.064 -20.955 5.002 1.00 0.00 H new ATOM 688 N MET A 64 8.510 -19.552 4.143 1.00 0.00 N ATOM 689 CA MET A 64 8.013 -19.248 2.811 1.00 0.00 C ATOM 690 C MET A 64 8.954 -19.801 1.749 1.00 0.00 C ATOM 691 O MET A 64 10.127 -19.423 1.682 1.00 0.00 O ATOM 692 CB MET A 64 7.844 -17.734 2.632 1.00 0.00 C ATOM 693 CG MET A 64 7.558 -17.313 1.197 1.00 0.00 C ATOM 694 SD MET A 64 5.793 -17.277 0.822 1.00 0.00 S ATOM 695 CE MET A 64 5.407 -15.569 1.197 1.00 0.00 C ATOM 0 H MET A 64 8.936 -18.760 4.625 1.00 0.00 H new ATOM 0 HA MET A 64 7.039 -19.723 2.694 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.030 -17.391 3.271 1.00 0.00 H new ATOM 0 HB3 MET A 64 8.750 -17.234 2.974 1.00 0.00 H new ATOM 0 HG2 MET A 64 7.983 -16.325 1.021 1.00 0.00 H new ATOM 0 HG3 MET A 64 8.057 -18.001 0.514 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.348 -15.387 1.015 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.636 -15.366 2.243 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.002 -14.913 0.561 1.00 0.00 H new ATOM 705 N SER A 65 8.438 -20.708 0.936 1.00 0.00 N ATOM 706 CA SER A 65 9.200 -21.264 -0.168 1.00 0.00 C ATOM 707 C SER A 65 9.201 -20.289 -1.342 1.00 0.00 C ATOM 708 O SER A 65 8.184 -20.115 -2.017 1.00 0.00 O ATOM 709 CB SER A 65 8.604 -22.609 -0.586 1.00 0.00 C ATOM 710 OG SER A 65 7.769 -23.128 0.439 1.00 0.00 O ATOM 0 H SER A 65 7.490 -21.076 1.021 1.00 0.00 H new ATOM 0 HA SER A 65 10.230 -21.424 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.029 -22.488 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.405 -23.316 -0.802 1.00 0.00 H new ATOM 0 HG SER A 65 7.396 -23.988 0.153 1.00 0.00 H new ATOM 716 N ASP A 66 10.332 -19.639 -1.565 1.00 0.00 N ATOM 717 CA ASP A 66 10.445 -18.638 -2.601 1.00 0.00 C ATOM 718 C ASP A 66 11.660 -18.927 -3.472 1.00 0.00 C ATOM 719 O ASP A 66 12.796 -18.925 -2.995 1.00 0.00 O ATOM 720 CB ASP A 66 10.547 -17.240 -1.978 1.00 0.00 C ATOM 721 CG ASP A 66 11.370 -16.289 -2.821 1.00 0.00 C ATOM 722 OD1 ASP A 66 10.882 -15.848 -3.883 1.00 0.00 O ATOM 723 OD2 ASP A 66 12.510 -15.979 -2.431 1.00 0.00 O ATOM 0 H ASP A 66 11.189 -19.792 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 66 9.553 -18.671 -3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.546 -16.830 -1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.992 -17.319 -0.986 1.00 0.00 H new ATOM 728 N PRO A 67 11.427 -19.237 -4.747 1.00 0.00 N ATOM 729 CA PRO A 67 12.490 -19.463 -5.713 1.00 0.00 C ATOM 730 C PRO A 67 12.877 -18.187 -6.456 1.00 0.00 C ATOM 731 O PRO A 67 13.800 -18.187 -7.272 1.00 0.00 O ATOM 732 CB PRO A 67 11.851 -20.467 -6.666 1.00 0.00 C ATOM 733 CG PRO A 67 10.394 -20.129 -6.661 1.00 0.00 C ATOM 734 CD PRO A 67 10.098 -19.443 -5.348 1.00 0.00 C ATOM 0 HA PRO A 67 13.416 -19.807 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.272 -20.384 -7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.020 -21.491 -6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.148 -19.477 -7.499 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.790 -21.030 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.578 -18.497 -5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.462 -20.058 -4.711 1.00 0.00 H new ATOM 742 N PHE A 68 12.174 -17.102 -6.165 1.00 0.00 N ATOM 743 CA PHE A 68 12.317 -15.878 -6.948 1.00 0.00 C ATOM 744 C PHE A 68 13.273 -14.890 -6.293 1.00 0.00 C ATOM 745 O PHE A 68 13.893 -14.073 -6.972 1.00 0.00 O ATOM 746 CB PHE A 68 10.955 -15.220 -7.171 1.00 0.00 C ATOM 747 CG PHE A 68 10.598 -15.061 -8.622 1.00 0.00 C ATOM 748 CD1 PHE A 68 10.979 -16.017 -9.551 1.00 0.00 C ATOM 749 CD2 PHE A 68 9.886 -13.955 -9.058 1.00 0.00 C ATOM 750 CE1 PHE A 68 10.657 -15.873 -10.887 1.00 0.00 C ATOM 751 CE2 PHE A 68 9.563 -13.807 -10.392 1.00 0.00 C ATOM 752 CZ PHE A 68 9.948 -14.767 -11.309 1.00 0.00 C ATOM 0 H PHE A 68 11.503 -17.041 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 68 12.741 -16.161 -7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.187 -15.817 -6.679 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.951 -14.240 -6.694 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.534 -16.885 -9.227 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.581 -13.201 -8.347 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.960 -16.625 -11.600 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.009 -12.940 -10.720 1.00 0.00 H new ATOM 0 HZ PHE A 68 9.695 -14.652 -12.353 1.00 0.00 H new ATOM 762 N GLY A 69 13.405 -14.971 -4.982 1.00 0.00 N ATOM 763 CA GLY A 69 14.286 -14.069 -4.277 1.00 0.00 C ATOM 764 C GLY A 69 13.497 -13.048 -3.497 1.00 0.00 C ATOM 765 O GLY A 69 14.032 -12.024 -3.063 1.00 0.00 O ATOM 0 H GLY A 69 12.918 -15.646 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.926 -14.634 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.940 -13.564 -4.987 1.00 0.00 H new ATOM 769 N THR A 70 12.214 -13.335 -3.328 1.00 0.00 N ATOM 770 CA THR A 70 11.330 -12.488 -2.561 1.00 0.00 C ATOM 771 C THR A 70 11.579 -12.692 -1.073 1.00 0.00 C ATOM 772 O THR A 70 10.899 -13.479 -0.414 1.00 0.00 O ATOM 773 CB THR A 70 9.860 -12.796 -2.889 1.00 0.00 C ATOM 774 OG1 THR A 70 9.774 -13.358 -4.207 1.00 0.00 O ATOM 775 CG2 THR A 70 9.004 -11.541 -2.806 1.00 0.00 C ATOM 0 H THR A 70 11.763 -14.162 -3.720 1.00 0.00 H new ATOM 0 HA THR A 70 11.534 -11.450 -2.824 1.00 0.00 H new ATOM 0 HB THR A 70 9.484 -13.510 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.001 -14.311 -4.172 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.970 -11.790 -3.043 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.057 -11.131 -1.798 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.372 -10.802 -3.518 1.00 0.00 H new ATOM 783 N ASN A 71 12.552 -11.970 -0.547 1.00 0.00 N ATOM 784 CA ASN A 71 12.992 -12.164 0.822 1.00 0.00 C ATOM 785 C ASN A 71 12.330 -11.153 1.751 1.00 0.00 C ATOM 786 O ASN A 71 12.998 -10.410 2.474 1.00 0.00 O ATOM 787 CB ASN A 71 14.515 -12.059 0.893 1.00 0.00 C ATOM 788 CG ASN A 71 15.198 -13.416 0.882 1.00 0.00 C ATOM 789 OD1 ASN A 71 16.217 -13.614 1.537 1.00 0.00 O ATOM 790 ND2 ASN A 71 14.646 -14.365 0.135 1.00 0.00 N ATOM 0 H ASN A 71 13.055 -11.240 -1.051 1.00 0.00 H new ATOM 0 HA ASN A 71 12.694 -13.159 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.874 -11.469 0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.796 -11.523 1.799 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.069 -15.292 0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.799 -14.167 -0.397 1.00 0.00 H new ATOM 797 N THR A 72 11.006 -11.129 1.716 1.00 0.00 N ATOM 798 CA THR A 72 10.237 -10.250 2.572 1.00 0.00 C ATOM 799 C THR A 72 9.106 -11.011 3.255 1.00 0.00 C ATOM 800 O THR A 72 8.539 -11.947 2.687 1.00 0.00 O ATOM 801 CB THR A 72 9.644 -9.076 1.775 1.00 0.00 C ATOM 802 OG1 THR A 72 9.839 -9.292 0.369 1.00 0.00 O ATOM 803 CG2 THR A 72 10.285 -7.757 2.185 1.00 0.00 C ATOM 0 H THR A 72 10.443 -11.714 1.099 1.00 0.00 H new ATOM 0 HA THR A 72 10.918 -9.858 3.328 1.00 0.00 H new ATOM 0 HB THR A 72 8.577 -9.022 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.458 -8.542 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.847 -6.944 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.110 -7.582 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.358 -7.800 1.997 1.00 0.00 H new ATOM 811 N TRP A 73 8.797 -10.612 4.477 1.00 0.00 N ATOM 812 CA TRP A 73 7.690 -11.191 5.221 1.00 0.00 C ATOM 813 C TRP A 73 6.734 -10.085 5.644 1.00 0.00 C ATOM 814 O TRP A 73 7.164 -9.065 6.181 1.00 0.00 O ATOM 815 CB TRP A 73 8.199 -11.941 6.457 1.00 0.00 C ATOM 816 CG TRP A 73 8.333 -13.419 6.249 1.00 0.00 C ATOM 817 CD1 TRP A 73 7.721 -14.174 5.291 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.132 -14.319 7.023 1.00 0.00 C ATOM 819 NE1 TRP A 73 8.091 -15.492 5.424 1.00 0.00 N ATOM 820 CE2 TRP A 73 8.958 -15.606 6.480 1.00 0.00 C ATOM 821 CE3 TRP A 73 9.977 -14.162 8.127 1.00 0.00 C ATOM 822 CZ2 TRP A 73 9.599 -16.727 7.001 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.616 -15.273 8.641 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.422 -16.542 8.078 1.00 0.00 C ATOM 0 H TRP A 73 9.302 -9.882 4.979 1.00 0.00 H new ATOM 0 HA TRP A 73 7.169 -11.902 4.580 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.168 -11.534 6.745 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.517 -11.760 7.288 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.046 -13.793 4.539 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.772 -16.260 4.833 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.127 -13.188 8.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 9.452 -17.707 6.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.275 -15.163 9.489 1.00 0.00 H new ATOM 0 HH2 TRP A 73 10.934 -17.392 8.504 1.00 0.00 H new ATOM 835 N PHE A 74 5.449 -10.268 5.392 1.00 0.00 N ATOM 836 CA PHE A 74 4.473 -9.245 5.730 1.00 0.00 C ATOM 837 C PHE A 74 3.433 -9.781 6.708 1.00 0.00 C ATOM 838 O PHE A 74 2.795 -10.810 6.466 1.00 0.00 O ATOM 839 CB PHE A 74 3.804 -8.682 4.463 1.00 0.00 C ATOM 840 CG PHE A 74 2.880 -9.639 3.752 1.00 0.00 C ATOM 841 CD1 PHE A 74 3.381 -10.721 3.047 1.00 0.00 C ATOM 842 CD2 PHE A 74 1.507 -9.443 3.784 1.00 0.00 C ATOM 843 CE1 PHE A 74 2.531 -11.592 2.389 1.00 0.00 C ATOM 844 CE2 PHE A 74 0.653 -10.308 3.128 1.00 0.00 C ATOM 845 CZ PHE A 74 1.167 -11.384 2.430 1.00 0.00 C ATOM 0 H PHE A 74 5.060 -11.106 4.959 1.00 0.00 H new ATOM 0 HA PHE A 74 5.001 -8.428 6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.240 -7.790 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.583 -8.368 3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.448 -10.887 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.101 -8.604 4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.934 -12.433 1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.414 -10.144 3.161 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.502 -12.062 1.917 1.00 0.00 H new ATOM 855 N TYR A 75 3.295 -9.093 7.830 1.00 0.00 N ATOM 856 CA TYR A 75 2.285 -9.430 8.819 1.00 0.00 C ATOM 857 C TYR A 75 1.420 -8.212 9.094 1.00 0.00 C ATOM 858 O TYR A 75 1.864 -7.078 8.921 1.00 0.00 O ATOM 859 CB TYR A 75 2.934 -9.912 10.120 1.00 0.00 C ATOM 860 CG TYR A 75 3.036 -11.417 10.227 1.00 0.00 C ATOM 861 CD1 TYR A 75 3.903 -12.135 9.414 1.00 0.00 C ATOM 862 CD2 TYR A 75 2.263 -12.121 11.141 1.00 0.00 C ATOM 863 CE1 TYR A 75 3.998 -13.510 9.507 1.00 0.00 C ATOM 864 CE2 TYR A 75 2.351 -13.496 11.241 1.00 0.00 C ATOM 865 CZ TYR A 75 3.221 -14.186 10.423 1.00 0.00 C ATOM 866 OH TYR A 75 3.311 -15.555 10.521 1.00 0.00 O ATOM 0 H TYR A 75 3.875 -8.292 8.079 1.00 0.00 H new ATOM 0 HA TYR A 75 1.668 -10.238 8.426 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.933 -9.482 10.198 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.358 -9.535 10.965 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.514 -11.609 8.696 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.582 -11.584 11.785 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.677 -14.052 8.866 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.741 -14.028 11.956 1.00 0.00 H new ATOM 0 HH TYR A 75 2.698 -15.874 11.215 1.00 0.00 H new ATOM 876 N VAL A 76 0.192 -8.439 9.519 1.00 0.00 N ATOM 877 CA VAL A 76 -0.725 -7.343 9.764 1.00 0.00 C ATOM 878 C VAL A 76 -0.888 -7.093 11.263 1.00 0.00 C ATOM 879 O VAL A 76 -1.094 -8.023 12.050 1.00 0.00 O ATOM 880 CB VAL A 76 -2.098 -7.600 9.093 1.00 0.00 C ATOM 881 CG1 VAL A 76 -2.763 -8.853 9.646 1.00 0.00 C ATOM 882 CG2 VAL A 76 -3.010 -6.388 9.236 1.00 0.00 C ATOM 0 H VAL A 76 -0.192 -9.366 9.701 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.299 -6.446 9.316 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.920 -7.765 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.724 -9.003 9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.123 -9.716 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.919 -8.739 10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.967 -6.594 8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.172 -6.177 10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.545 -5.524 8.761 1.00 0.00 H new ATOM 892 N PHE A 77 -0.745 -5.834 11.650 1.00 0.00 N ATOM 893 CA PHE A 77 -0.962 -5.412 13.026 1.00 0.00 C ATOM 894 C PHE A 77 -2.402 -4.933 13.166 1.00 0.00 C ATOM 895 O PHE A 77 -3.176 -5.024 12.216 1.00 0.00 O ATOM 896 CB PHE A 77 -0.004 -4.274 13.385 1.00 0.00 C ATOM 897 CG PHE A 77 1.295 -4.700 14.012 1.00 0.00 C ATOM 898 CD1 PHE A 77 1.845 -5.949 13.764 1.00 0.00 C ATOM 899 CD2 PHE A 77 1.975 -3.832 14.850 1.00 0.00 C ATOM 900 CE1 PHE A 77 3.044 -6.318 14.340 1.00 0.00 C ATOM 901 CE2 PHE A 77 3.171 -4.199 15.428 1.00 0.00 C ATOM 902 CZ PHE A 77 3.707 -5.443 15.173 1.00 0.00 C ATOM 0 H PHE A 77 -0.476 -5.078 11.021 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.777 -6.248 13.700 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.217 -3.708 12.480 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.513 -3.595 14.069 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.330 -6.640 13.113 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.563 -2.855 15.053 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.463 -7.293 14.138 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.688 -3.512 16.081 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.645 -5.731 15.625 1.00 0.00 H new ATOM 912 N ARG A 78 -2.768 -4.423 14.331 1.00 0.00 N ATOM 913 CA ARG A 78 -4.110 -3.879 14.511 1.00 0.00 C ATOM 914 C ARG A 78 -4.067 -2.467 15.086 1.00 0.00 C ATOM 915 O ARG A 78 -3.523 -2.232 16.170 1.00 0.00 O ATOM 916 CB ARG A 78 -4.967 -4.789 15.396 1.00 0.00 C ATOM 917 CG ARG A 78 -4.256 -5.322 16.627 1.00 0.00 C ATOM 918 CD ARG A 78 -5.251 -5.828 17.657 1.00 0.00 C ATOM 919 NE ARG A 78 -4.591 -6.313 18.867 1.00 0.00 N ATOM 920 CZ ARG A 78 -4.056 -5.523 19.800 1.00 0.00 C ATOM 921 NH1 ARG A 78 -4.117 -4.202 19.677 1.00 0.00 N ATOM 922 NH2 ARG A 78 -3.479 -6.053 20.871 1.00 0.00 N ATOM 0 H ARG A 78 -2.169 -4.373 15.155 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.571 -3.830 13.524 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.852 -4.237 15.714 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.315 -5.632 14.799 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.582 -6.129 16.340 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.642 -4.535 17.066 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.941 -5.026 17.918 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.845 -6.631 17.222 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.536 -7.322 19.008 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.575 -3.786 18.866 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.706 -3.604 20.394 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.444 -7.066 20.982 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.071 -5.447 21.583 1.00 0.00 H new ATOM 936 N GLN A 79 -4.609 -1.527 14.328 1.00 0.00 N ATOM 937 CA GLN A 79 -4.753 -0.149 14.775 1.00 0.00 C ATOM 938 C GLN A 79 -6.217 0.112 15.110 1.00 0.00 C ATOM 939 O GLN A 79 -6.770 -0.489 16.035 1.00 0.00 O ATOM 940 CB GLN A 79 -4.283 0.827 13.685 1.00 0.00 C ATOM 941 CG GLN A 79 -2.987 1.558 14.005 1.00 0.00 C ATOM 942 CD GLN A 79 -3.166 2.706 14.984 1.00 0.00 C ATOM 943 OE1 GLN A 79 -3.995 2.643 15.885 1.00 0.00 O ATOM 944 NE2 GLN A 79 -2.387 3.763 14.814 1.00 0.00 N ATOM 0 H GLN A 79 -4.962 -1.697 13.386 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.136 0.007 15.660 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.153 0.276 12.754 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.067 1.564 13.513 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.270 0.848 14.417 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.558 1.943 13.080 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.708 3.779 14.053 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.465 4.561 15.444 1.00 0.00 H new ATOM 953 N GLN A 80 -6.844 0.995 14.344 1.00 0.00 N ATOM 954 CA GLN A 80 -8.262 1.282 14.498 1.00 0.00 C ATOM 955 C GLN A 80 -8.967 1.123 13.149 1.00 0.00 C ATOM 956 O GLN A 80 -9.184 2.101 12.431 1.00 0.00 O ATOM 957 CB GLN A 80 -8.485 2.699 15.054 1.00 0.00 C ATOM 958 CG GLN A 80 -7.302 3.266 15.835 1.00 0.00 C ATOM 959 CD GLN A 80 -7.190 2.699 17.240 1.00 0.00 C ATOM 960 OE1 GLN A 80 -8.153 2.701 18.006 1.00 0.00 O ATOM 961 NE2 GLN A 80 -6.004 2.229 17.593 1.00 0.00 N ATOM 0 H GLN A 80 -6.387 1.528 13.604 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.683 0.575 15.212 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.712 3.369 14.225 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.361 2.687 15.703 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.381 3.057 15.291 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.399 4.350 15.894 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.231 2.245 16.928 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.864 1.851 18.530 1.00 0.00 H new ATOM 970 N PRO A 81 -9.300 -0.123 12.770 1.00 0.00 N ATOM 971 CA PRO A 81 -9.945 -0.426 11.487 1.00 0.00 C ATOM 972 C PRO A 81 -11.376 0.100 11.412 1.00 0.00 C ATOM 973 O PRO A 81 -12.160 -0.051 12.356 1.00 0.00 O ATOM 974 CB PRO A 81 -9.937 -1.961 11.419 1.00 0.00 C ATOM 975 CG PRO A 81 -9.000 -2.400 12.495 1.00 0.00 C ATOM 976 CD PRO A 81 -9.070 -1.342 13.552 1.00 0.00 C ATOM 0 HA PRO A 81 -9.422 0.050 10.658 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.936 -2.367 11.578 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.604 -2.309 10.441 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.291 -3.372 12.894 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.985 -2.503 12.112 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.878 -1.528 14.259 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.148 -1.285 14.130 1.00 0.00 H new ATOM 984 N GLY A 82 -11.704 0.717 10.287 1.00 0.00 N ATOM 985 CA GLY A 82 -13.031 1.254 10.087 1.00 0.00 C ATOM 986 C GLY A 82 -13.176 1.903 8.726 1.00 0.00 C ATOM 987 O GLY A 82 -12.178 2.208 8.073 1.00 0.00 O ATOM 0 H GLY A 82 -11.067 0.856 9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.766 0.455 10.189 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.247 1.987 10.864 1.00 0.00 H new ATOM 991 N HIS A 83 -14.414 2.096 8.295 1.00 0.00 N ATOM 992 CA HIS A 83 -14.691 2.721 7.009 1.00 0.00 C ATOM 993 C HIS A 83 -14.342 4.201 7.042 1.00 0.00 C ATOM 994 O HIS A 83 -14.886 4.951 7.859 1.00 0.00 O ATOM 995 CB HIS A 83 -16.161 2.548 6.635 1.00 0.00 C ATOM 996 CG HIS A 83 -16.364 2.071 5.230 1.00 0.00 C ATOM 997 ND1 HIS A 83 -16.155 2.866 4.122 1.00 0.00 N ATOM 998 CD2 HIS A 83 -16.762 0.869 4.755 1.00 0.00 C ATOM 999 CE1 HIS A 83 -16.418 2.174 3.034 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -16.788 0.960 3.389 1.00 0.00 N ATOM 0 H HIS A 83 -15.247 1.827 8.820 1.00 0.00 H new ATOM 0 HA HIS A 83 -14.072 2.231 6.258 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -16.622 1.839 7.322 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -16.676 3.500 6.766 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -15.845 3.838 4.143 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -17.013 -0.001 5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -16.343 2.540 2.021 1.00 0.00 H new ATOM 1009 N GLU A 84 -13.447 4.604 6.142 1.00 0.00 N ATOM 1010 CA GLU A 84 -12.965 5.983 6.054 1.00 0.00 C ATOM 1011 C GLU A 84 -12.101 6.313 7.260 1.00 0.00 C ATOM 1012 O GLU A 84 -12.590 6.475 8.378 1.00 0.00 O ATOM 1013 CB GLU A 84 -14.119 6.978 5.906 1.00 0.00 C ATOM 1014 CG GLU A 84 -14.462 7.289 4.457 1.00 0.00 C ATOM 1015 CD GLU A 84 -14.297 6.086 3.552 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -15.251 5.289 3.436 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -13.207 5.922 2.962 1.00 0.00 O ATOM 0 H GLU A 84 -13.033 3.980 5.449 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.354 6.072 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.002 6.576 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.859 7.905 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.490 7.645 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.824 8.098 4.101 1.00 0.00 H new ATOM 1024 N GLY A 85 -10.810 6.423 7.019 1.00 0.00 N ATOM 1025 CA GLY A 85 -9.862 6.498 8.103 1.00 0.00 C ATOM 1026 C GLY A 85 -9.042 5.235 8.148 1.00 0.00 C ATOM 1027 O GLY A 85 -8.956 4.565 9.177 1.00 0.00 O ATOM 0 H GLY A 85 -10.399 6.462 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.210 7.362 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.386 6.637 9.049 1.00 0.00 H new ATOM 1031 N VAL A 86 -8.448 4.918 7.009 1.00 0.00 N ATOM 1032 CA VAL A 86 -7.748 3.665 6.821 1.00 0.00 C ATOM 1033 C VAL A 86 -6.359 3.814 7.384 1.00 0.00 C ATOM 1034 O VAL A 86 -5.411 4.179 6.689 1.00 0.00 O ATOM 1035 CB VAL A 86 -7.670 3.252 5.334 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -7.232 1.800 5.205 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -9.009 3.469 4.645 1.00 0.00 C ATOM 0 H VAL A 86 -8.440 5.525 6.190 1.00 0.00 H new ATOM 0 HA VAL A 86 -8.299 2.879 7.338 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.927 3.881 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.183 1.527 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.249 1.675 5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.950 1.157 5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.932 3.172 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.773 2.868 5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.282 4.523 4.704 1.00 0.00 H new ATOM 1047 N THR A 87 -6.266 3.538 8.652 1.00 0.00 N ATOM 1048 CA THR A 87 -5.090 3.821 9.410 1.00 0.00 C ATOM 1049 C THR A 87 -4.663 2.550 10.136 1.00 0.00 C ATOM 1050 O THR A 87 -5.384 2.025 10.988 1.00 0.00 O ATOM 1051 CB THR A 87 -5.409 4.999 10.360 1.00 0.00 C ATOM 1052 OG1 THR A 87 -4.910 6.224 9.803 1.00 0.00 O ATOM 1053 CG2 THR A 87 -4.841 4.802 11.763 1.00 0.00 C ATOM 0 H THR A 87 -7.015 3.105 9.192 1.00 0.00 H new ATOM 0 HA THR A 87 -4.251 4.123 8.784 1.00 0.00 H new ATOM 0 HB THR A 87 -6.494 5.043 10.457 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.945 6.146 9.654 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.097 5.661 12.383 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.263 3.898 12.203 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.757 4.706 11.706 1.00 0.00 H new ATOM 1061 N GLN A 88 -3.512 2.024 9.743 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.095 0.696 10.164 1.00 0.00 C ATOM 1063 C GLN A 88 -1.581 0.593 10.227 1.00 0.00 C ATOM 1064 O GLN A 88 -0.876 1.478 9.760 1.00 0.00 O ATOM 1065 CB GLN A 88 -3.626 -0.336 9.170 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.839 -1.103 9.662 1.00 0.00 C ATOM 1067 CD GLN A 88 -4.514 -2.056 10.793 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -5.259 -2.150 11.765 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -3.399 -2.760 10.681 1.00 0.00 N ATOM 0 H GLN A 88 -2.849 2.499 9.131 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.497 0.508 11.160 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.883 0.170 8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.831 -1.045 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.599 -0.396 9.996 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -5.269 -1.665 8.832 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.808 -2.652 9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.130 -3.411 11.419 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.092 -0.484 10.815 1.00 0.00 N ATOM 1079 CA GLN A 89 0.334 -0.773 10.831 1.00 0.00 C ATOM 1080 C GLN A 89 0.587 -2.130 10.194 1.00 0.00 C ATOM 1081 O GLN A 89 -0.145 -3.088 10.445 1.00 0.00 O ATOM 1082 CB GLN A 89 0.901 -0.772 12.260 1.00 0.00 C ATOM 1083 CG GLN A 89 0.018 -0.089 13.297 1.00 0.00 C ATOM 1084 CD GLN A 89 -1.029 -1.018 13.882 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -1.730 -1.719 13.154 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -1.168 -1.007 15.196 1.00 0.00 N ATOM 0 H GLN A 89 -1.666 -1.179 11.292 1.00 0.00 H new ATOM 0 HA GLN A 89 0.837 0.011 10.266 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.070 -1.803 12.570 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.873 -0.279 12.250 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.643 0.298 14.101 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.478 0.767 12.838 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.568 -0.412 15.767 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.875 -1.593 15.639 1.00 0.00 H new ATOM 1095 N THR A 90 1.600 -2.207 9.354 1.00 0.00 N ATOM 1096 CA THR A 90 2.000 -3.471 8.772 1.00 0.00 C ATOM 1097 C THR A 90 3.404 -3.832 9.226 1.00 0.00 C ATOM 1098 O THR A 90 4.307 -2.992 9.210 1.00 0.00 O ATOM 1099 CB THR A 90 1.959 -3.429 7.232 1.00 0.00 C ATOM 1100 OG1 THR A 90 1.448 -2.168 6.784 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.095 -4.554 6.685 1.00 0.00 C ATOM 0 H THR A 90 2.161 -1.408 9.059 1.00 0.00 H new ATOM 0 HA THR A 90 1.292 -4.226 9.112 1.00 0.00 H new ATOM 0 HB THR A 90 2.976 -3.557 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.428 -2.152 5.804 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.080 -4.505 5.596 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.505 -5.514 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.079 -4.451 7.067 1.00 0.00 H new ATOM 1109 N LEU A 91 3.581 -5.073 9.648 1.00 0.00 N ATOM 1110 CA LEU A 91 4.890 -5.551 10.040 1.00 0.00 C ATOM 1111 C LEU A 91 5.631 -6.053 8.814 1.00 0.00 C ATOM 1112 O LEU A 91 5.336 -7.132 8.293 1.00 0.00 O ATOM 1113 CB LEU A 91 4.772 -6.662 11.090 1.00 0.00 C ATOM 1114 CG LEU A 91 5.781 -6.592 12.245 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.996 -7.455 11.952 1.00 0.00 C ATOM 1116 CD2 LEU A 91 6.207 -5.155 12.514 1.00 0.00 C ATOM 0 H LEU A 91 2.835 -5.764 9.727 1.00 0.00 H new ATOM 0 HA LEU A 91 5.449 -4.729 10.486 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.766 -6.637 11.508 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.885 -7.624 10.590 1.00 0.00 H new ATOM 0 HG LEU A 91 5.290 -6.976 13.139 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.697 -7.390 12.784 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.683 -8.491 11.821 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.480 -7.104 11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.922 -5.135 13.337 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.672 -4.740 11.620 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.333 -4.560 12.778 1.00 0.00 H new ATOM 1128 N THR A 92 6.580 -5.262 8.353 1.00 0.00 N ATOM 1129 CA THR A 92 7.326 -5.590 7.158 1.00 0.00 C ATOM 1130 C THR A 92 8.726 -6.072 7.514 1.00 0.00 C ATOM 1131 O THR A 92 9.585 -5.287 7.911 1.00 0.00 O ATOM 1132 CB THR A 92 7.413 -4.372 6.216 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.368 -3.437 6.534 1.00 0.00 O ATOM 1134 CG2 THR A 92 7.298 -4.804 4.761 1.00 0.00 C ATOM 0 H THR A 92 6.852 -4.383 8.792 1.00 0.00 H new ATOM 0 HA THR A 92 6.798 -6.393 6.643 1.00 0.00 H new ATOM 0 HB THR A 92 8.383 -3.894 6.356 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.536 -3.047 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.362 -3.928 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.108 -5.492 4.521 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.341 -5.302 4.604 1.00 0.00 H new ATOM 1142 N LEU A 93 8.938 -7.368 7.399 1.00 0.00 N ATOM 1143 CA LEU A 93 10.238 -7.950 7.669 1.00 0.00 C ATOM 1144 C LEU A 93 11.013 -8.086 6.377 1.00 0.00 C ATOM 1145 O LEU A 93 10.515 -8.656 5.406 1.00 0.00 O ATOM 1146 CB LEU A 93 10.092 -9.322 8.322 1.00 0.00 C ATOM 1147 CG LEU A 93 9.380 -9.324 9.674 1.00 0.00 C ATOM 1148 CD1 LEU A 93 7.974 -9.891 9.534 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.179 -10.115 10.698 1.00 0.00 C ATOM 0 H LEU A 93 8.224 -8.040 7.119 1.00 0.00 H new ATOM 0 HA LEU A 93 10.775 -7.293 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.547 -9.975 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.085 -9.753 8.451 1.00 0.00 H new ATOM 0 HG LEU A 93 9.302 -8.295 10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.481 -9.885 10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.403 -9.280 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.030 -10.914 9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.656 -10.105 11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.291 -11.144 10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.164 -9.664 10.818 1.00 0.00 H new ATOM 1161 N THR A 94 12.225 -7.572 6.367 1.00 0.00 N ATOM 1162 CA THR A 94 13.045 -7.620 5.181 1.00 0.00 C ATOM 1163 C THR A 94 14.343 -8.316 5.502 1.00 0.00 C ATOM 1164 O THR A 94 15.009 -7.970 6.475 1.00 0.00 O ATOM 1165 CB THR A 94 13.350 -6.213 4.633 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.283 -5.311 4.962 1.00 0.00 O ATOM 1167 CG2 THR A 94 13.542 -6.254 3.126 1.00 0.00 C ATOM 0 H THR A 94 12.662 -7.117 7.168 1.00 0.00 H new ATOM 0 HA THR A 94 12.493 -8.166 4.416 1.00 0.00 H new ATOM 0 HB THR A 94 14.273 -5.860 5.093 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.657 -4.476 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.756 -5.250 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.374 -6.915 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 94 12.633 -6.627 2.653 1.00 0.00 H new ATOM 1175 N PHE A 95 14.687 -9.311 4.717 1.00 0.00 N ATOM 1176 CA PHE A 95 15.934 -10.005 4.912 1.00 0.00 C ATOM 1177 C PHE A 95 16.716 -10.009 3.618 1.00 0.00 C ATOM 1178 O PHE A 95 16.138 -9.964 2.533 1.00 0.00 O ATOM 1179 CB PHE A 95 15.735 -11.446 5.430 1.00 0.00 C ATOM 1180 CG PHE A 95 14.397 -12.083 5.136 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.239 -11.653 5.772 1.00 0.00 C ATOM 1182 CD2 PHE A 95 14.308 -13.135 4.239 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.024 -12.255 5.510 1.00 0.00 C ATOM 1184 CE2 PHE A 95 13.094 -13.743 3.978 1.00 0.00 C ATOM 1185 CZ PHE A 95 11.951 -13.300 4.613 1.00 0.00 C ATOM 0 H PHE A 95 14.122 -9.655 3.941 1.00 0.00 H new ATOM 0 HA PHE A 95 16.494 -9.473 5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.515 -12.075 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.884 -11.445 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.290 -10.839 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.198 -13.485 3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.131 -11.907 6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.040 -14.564 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.001 -13.771 4.408 1.00 0.00 H new ATOM 1195 N ASN A 96 18.027 -10.002 3.729 1.00 0.00 N ATOM 1196 CA ASN A 96 18.872 -10.132 2.563 1.00 0.00 C ATOM 1197 C ASN A 96 18.878 -11.586 2.137 1.00 0.00 C ATOM 1198 O ASN A 96 18.567 -12.460 2.949 1.00 0.00 O ATOM 1199 CB ASN A 96 20.297 -9.655 2.862 1.00 0.00 C ATOM 1200 CG ASN A 96 20.945 -8.989 1.664 1.00 0.00 C ATOM 1201 OD1 ASN A 96 20.680 -9.351 0.516 1.00 0.00 O ATOM 1202 ND2 ASN A 96 21.805 -8.016 1.919 1.00 0.00 N ATOM 0 H ASN A 96 18.529 -9.908 4.612 1.00 0.00 H new ATOM 0 HA ASN A 96 18.482 -9.509 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.275 -8.954 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 96 20.904 -10.505 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 96 22.275 -7.537 1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 96 21.998 -7.745 2.883 1.00 0.00 H new ATOM 1209 N SER A 97 19.255 -11.846 0.887 1.00 0.00 N ATOM 1210 CA SER A 97 19.209 -13.195 0.318 1.00 0.00 C ATOM 1211 C SER A 97 20.138 -14.167 1.054 1.00 0.00 C ATOM 1212 O SER A 97 20.239 -15.339 0.696 1.00 0.00 O ATOM 1213 CB SER A 97 19.571 -13.131 -1.163 1.00 0.00 C ATOM 1214 OG SER A 97 19.452 -11.801 -1.654 1.00 0.00 O ATOM 0 H SER A 97 19.599 -11.134 0.242 1.00 0.00 H new ATOM 0 HA SER A 97 18.195 -13.576 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 97 20.591 -13.488 -1.309 1.00 0.00 H new ATOM 0 HB3 SER A 97 18.917 -13.793 -1.731 1.00 0.00 H new ATOM 0 HG SER A 97 20.311 -11.339 -1.557 1.00 0.00 H new ATOM 1220 N SER A 98 20.831 -13.661 2.060 1.00 0.00 N ATOM 1221 CA SER A 98 21.650 -14.472 2.936 1.00 0.00 C ATOM 1222 C SER A 98 20.800 -15.077 4.061 1.00 0.00 C ATOM 1223 O SER A 98 21.271 -15.917 4.826 1.00 0.00 O ATOM 1224 CB SER A 98 22.747 -13.588 3.518 1.00 0.00 C ATOM 1225 OG SER A 98 22.516 -12.227 3.180 1.00 0.00 O ATOM 0 H SER A 98 20.839 -12.668 2.291 1.00 0.00 H new ATOM 0 HA SER A 98 22.091 -15.295 2.373 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.777 -13.700 4.602 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.718 -13.904 3.138 1.00 0.00 H new ATOM 0 HG SER A 98 23.227 -11.670 3.561 1.00 0.00 H new ATOM 1231 N GLY A 99 19.550 -14.630 4.149 1.00 0.00 N ATOM 1232 CA GLY A 99 18.648 -15.107 5.179 1.00 0.00 C ATOM 1233 C GLY A 99 18.698 -14.248 6.430 1.00 0.00 C ATOM 1234 O GLY A 99 18.207 -14.641 7.480 1.00 0.00 O ATOM 0 H GLY A 99 19.144 -13.939 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.630 -15.120 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.904 -16.135 5.436 1.00 0.00 H new ATOM 1238 N VAL A 100 19.271 -13.061 6.301 1.00 0.00 N ATOM 1239 CA VAL A 100 19.518 -12.181 7.429 1.00 0.00 C ATOM 1240 C VAL A 100 18.624 -10.945 7.344 1.00 0.00 C ATOM 1241 O VAL A 100 18.638 -10.241 6.335 1.00 0.00 O ATOM 1242 CB VAL A 100 21.012 -11.762 7.448 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.224 -10.420 8.132 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.852 -12.839 8.113 1.00 0.00 C ATOM 0 H VAL A 100 19.579 -12.681 5.406 1.00 0.00 H new ATOM 0 HA VAL A 100 19.285 -12.713 8.351 1.00 0.00 H new ATOM 0 HB VAL A 100 21.332 -11.648 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.285 -10.169 8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.663 -9.649 7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.876 -10.478 9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.898 -12.532 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.510 -12.986 9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.751 -13.773 7.560 1.00 0.00 H new ATOM 1254 N LEU A 101 17.835 -10.702 8.392 1.00 0.00 N ATOM 1255 CA LEU A 101 16.971 -9.516 8.452 1.00 0.00 C ATOM 1256 C LEU A 101 17.787 -8.251 8.231 1.00 0.00 C ATOM 1257 O LEU A 101 18.595 -7.869 9.075 1.00 0.00 O ATOM 1258 CB LEU A 101 16.270 -9.420 9.813 1.00 0.00 C ATOM 1259 CG LEU A 101 15.231 -10.501 10.119 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.216 -9.987 11.126 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.523 -10.962 8.854 1.00 0.00 C ATOM 0 H LEU A 101 17.775 -11.308 9.210 1.00 0.00 H new ATOM 0 HA LEU A 101 16.222 -9.613 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.031 -9.447 10.593 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.781 -8.448 9.878 1.00 0.00 H new ATOM 0 HG LEU A 101 15.755 -11.357 10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.483 -10.767 11.334 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.726 -9.713 12.049 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.709 -9.112 10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.792 -11.730 9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.016 -10.115 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.254 -11.372 8.157 1.00 0.00 H new ATOM 1273 N THR A 102 17.577 -7.605 7.101 1.00 0.00 N ATOM 1274 CA THR A 102 18.272 -6.374 6.804 1.00 0.00 C ATOM 1275 C THR A 102 17.662 -5.246 7.619 1.00 0.00 C ATOM 1276 O THR A 102 18.375 -4.429 8.209 1.00 0.00 O ATOM 1277 CB THR A 102 18.194 -6.048 5.300 1.00 0.00 C ATOM 1278 OG1 THR A 102 17.090 -6.753 4.709 1.00 0.00 O ATOM 1279 CG2 THR A 102 19.486 -6.445 4.601 1.00 0.00 C ATOM 0 H THR A 102 16.930 -7.914 6.375 1.00 0.00 H new ATOM 0 HA THR A 102 19.323 -6.489 7.068 1.00 0.00 H new ATOM 0 HB THR A 102 18.047 -4.974 5.182 1.00 0.00 H new ATOM 0 HG1 THR A 102 17.042 -6.543 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 102 19.413 -6.208 3.540 1.00 0.00 H new ATOM 0 HG22 THR A 102 20.320 -5.897 5.039 1.00 0.00 H new ATOM 0 HG23 THR A 102 19.652 -7.515 4.723 1.00 0.00 H new ATOM 1287 N ASN A 103 16.337 -5.239 7.692 1.00 0.00 N ATOM 1288 CA ASN A 103 15.623 -4.238 8.467 1.00 0.00 C ATOM 1289 C ASN A 103 14.191 -4.681 8.729 1.00 0.00 C ATOM 1290 O ASN A 103 13.626 -5.483 7.978 1.00 0.00 O ATOM 1291 CB ASN A 103 15.639 -2.879 7.747 1.00 0.00 C ATOM 1292 CG ASN A 103 14.413 -2.645 6.882 1.00 0.00 C ATOM 1293 OD1 ASN A 103 14.242 -3.281 5.843 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.555 -1.725 7.299 1.00 0.00 N ATOM 0 H ASN A 103 15.736 -5.917 7.223 1.00 0.00 H new ATOM 0 HA ASN A 103 16.131 -4.127 9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.710 -2.083 8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.532 -2.815 7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.718 -1.523 6.752 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.732 -1.219 8.167 1.00 0.00 H new ATOM 1301 N ILE A 104 13.624 -4.182 9.814 1.00 0.00 N ATOM 1302 CA ILE A 104 12.210 -4.361 10.090 1.00 0.00 C ATOM 1303 C ILE A 104 11.504 -3.038 9.880 1.00 0.00 C ATOM 1304 O ILE A 104 11.994 -1.992 10.308 1.00 0.00 O ATOM 1305 CB ILE A 104 11.931 -4.829 11.535 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.192 -6.331 11.675 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.491 -4.491 11.924 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.111 -6.681 12.823 1.00 0.00 C ATOM 0 H ILE A 104 14.126 -3.646 10.522 1.00 0.00 H new ATOM 0 HA ILE A 104 11.846 -5.134 9.414 1.00 0.00 H new ATOM 0 HB ILE A 104 12.607 -4.305 12.211 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.241 -6.845 11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.625 -6.704 10.747 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.302 -4.824 12.944 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.340 -3.413 11.860 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.803 -4.994 11.245 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.250 -7.761 12.861 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.076 -6.195 12.678 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.670 -6.339 13.759 1.00 0.00 H new ATOM 1320 N ASP A 105 10.366 -3.080 9.232 1.00 0.00 N ATOM 1321 CA ASP A 105 9.584 -1.889 9.035 1.00 0.00 C ATOM 1322 C ASP A 105 8.258 -1.989 9.769 1.00 0.00 C ATOM 1323 O ASP A 105 7.333 -2.660 9.313 1.00 0.00 O ATOM 1324 CB ASP A 105 9.341 -1.683 7.553 1.00 0.00 C ATOM 1325 CG ASP A 105 9.516 -0.239 7.132 1.00 0.00 C ATOM 1326 OD1 ASP A 105 10.405 0.443 7.683 1.00 0.00 O ATOM 1327 OD2 ASP A 105 8.768 0.225 6.250 1.00 0.00 O ATOM 0 H ASP A 105 9.962 -3.927 8.833 1.00 0.00 H new ATOM 0 HA ASP A 105 10.134 -1.038 9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.028 -2.310 6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.332 -2.011 7.305 1.00 0.00 H new ATOM 1332 N ASN A 106 8.180 -1.333 10.913 1.00 0.00 N ATOM 1333 CA ASN A 106 6.927 -1.218 11.642 1.00 0.00 C ATOM 1334 C ASN A 106 6.506 0.238 11.646 1.00 0.00 C ATOM 1335 O ASN A 106 7.037 1.045 12.411 1.00 0.00 O ATOM 1336 CB ASN A 106 7.068 -1.728 13.081 1.00 0.00 C ATOM 1337 CG ASN A 106 5.874 -1.357 13.946 1.00 0.00 C ATOM 1338 OD1 ASN A 106 4.756 -1.819 13.716 1.00 0.00 O ATOM 1339 ND2 ASN A 106 6.106 -0.518 14.943 1.00 0.00 N ATOM 0 H ASN A 106 8.972 -0.870 11.359 1.00 0.00 H new ATOM 0 HA ASN A 106 6.172 -1.831 11.150 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.183 -2.812 13.070 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.975 -1.316 13.523 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.343 -0.231 15.556 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.048 -0.159 15.099 1.00 0.00 H new ATOM 1346 N LYS A 107 5.575 0.577 10.777 1.00 0.00 N ATOM 1347 CA LYS A 107 5.171 1.960 10.605 1.00 0.00 C ATOM 1348 C LYS A 107 3.657 2.059 10.511 1.00 0.00 C ATOM 1349 O LYS A 107 3.045 1.518 9.589 1.00 0.00 O ATOM 1350 CB LYS A 107 5.820 2.543 9.348 1.00 0.00 C ATOM 1351 CG LYS A 107 6.764 3.712 9.620 1.00 0.00 C ATOM 1352 CD LYS A 107 7.954 3.302 10.482 1.00 0.00 C ATOM 1353 CE LYS A 107 8.798 2.219 9.818 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.472 2.716 8.592 1.00 0.00 N ATOM 0 H LYS A 107 5.083 -0.086 10.178 1.00 0.00 H new ATOM 0 HA LYS A 107 5.503 2.534 11.470 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.373 1.754 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.036 2.874 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.125 4.114 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.215 4.512 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.576 4.175 10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.595 2.941 11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.547 1.859 10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.164 1.369 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.176 2.018 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.766 2.860 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.947 3.618 8.798 1.00 0.00 H new ATOM 1368 N PRO A 108 3.038 2.743 11.477 1.00 0.00 N ATOM 1369 CA PRO A 108 1.598 2.938 11.505 1.00 0.00 C ATOM 1370 C PRO A 108 1.156 4.086 10.602 1.00 0.00 C ATOM 1371 O PRO A 108 1.876 5.072 10.438 1.00 0.00 O ATOM 1372 CB PRO A 108 1.320 3.266 12.971 1.00 0.00 C ATOM 1373 CG PRO A 108 2.572 3.908 13.471 1.00 0.00 C ATOM 1374 CD PRO A 108 3.707 3.387 12.623 1.00 0.00 C ATOM 0 HA PRO A 108 1.055 2.066 11.140 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.467 3.937 13.070 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.085 2.366 13.539 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.504 4.993 13.399 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.735 3.668 14.522 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.364 4.194 12.298 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.323 2.677 13.175 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.021 3.940 10.009 1.00 0.00 N ATOM 1383 CA ALA A 109 -0.615 4.982 9.184 1.00 0.00 C ATOM 1384 C ALA A 109 -1.088 6.140 10.058 1.00 0.00 C ATOM 1385 O ALA A 109 -2.283 6.338 10.255 1.00 0.00 O ATOM 1386 CB ALA A 109 -1.767 4.411 8.362 1.00 0.00 C ATOM 0 H ALA A 109 -0.590 3.097 10.086 1.00 0.00 H new ATOM 0 HA ALA A 109 0.139 5.362 8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.203 5.200 7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.394 3.615 7.717 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.528 4.010 9.032 1.00 0.00 H new ATOM 1392 N LEU A 110 -0.128 6.871 10.602 1.00 0.00 N ATOM 1393 CA LEU A 110 -0.397 7.998 11.481 1.00 0.00 C ATOM 1394 C LEU A 110 0.754 8.997 11.378 1.00 0.00 C ATOM 1395 O LEU A 110 1.056 9.483 10.285 1.00 0.00 O ATOM 1396 CB LEU A 110 -0.557 7.512 12.933 1.00 0.00 C ATOM 1397 CG LEU A 110 -1.725 8.119 13.729 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -1.832 9.622 13.508 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -3.028 7.431 13.362 1.00 0.00 C ATOM 0 H LEU A 110 0.865 6.698 10.445 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.325 8.484 11.179 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.678 6.429 12.920 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.369 7.723 13.469 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.527 7.956 14.788 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.668 10.016 14.086 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.909 10.104 13.830 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.996 9.823 12.449 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.845 7.871 13.933 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.220 7.559 12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.956 6.368 13.592 1.00 0.00 H new ATOM 1411 N SER A 111 1.411 9.256 12.513 1.00 0.00 N ATOM 1412 CA SER A 111 2.541 10.185 12.597 1.00 0.00 C ATOM 1413 C SER A 111 2.105 11.630 12.333 1.00 0.00 C ATOM 1414 O SER A 111 2.132 12.466 13.237 1.00 0.00 O ATOM 1415 CB SER A 111 3.668 9.770 11.639 1.00 0.00 C ATOM 1416 OG SER A 111 3.744 8.359 11.517 1.00 0.00 O ATOM 0 H SER A 111 1.171 8.824 13.405 1.00 0.00 H new ATOM 0 HA SER A 111 2.926 10.139 13.616 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.497 10.214 10.658 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.619 10.158 12.003 1.00 0.00 H new ATOM 0 HG SER A 111 4.468 8.122 10.900 1.00 0.00 H new ATOM 1422 N GLY A 112 1.687 11.914 11.109 1.00 0.00 N ATOM 1423 CA GLY A 112 1.308 13.261 10.744 1.00 0.00 C ATOM 1424 C GLY A 112 1.826 13.645 9.374 1.00 0.00 C ATOM 1425 O GLY A 112 2.646 14.557 9.240 1.00 0.00 O ATOM 0 H GLY A 112 1.603 11.229 10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.222 13.348 10.758 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.694 13.960 11.486 1.00 0.00 H new ATOM 1429 N ASN A 113 1.359 12.943 8.353 1.00 0.00 N ATOM 1430 CA ASN A 113 1.788 13.206 6.987 1.00 0.00 C ATOM 1431 C ASN A 113 0.596 13.532 6.096 1.00 0.00 C ATOM 1432 O ASN A 113 0.651 14.449 5.279 1.00 0.00 O ATOM 1433 CB ASN A 113 2.541 12.000 6.424 1.00 0.00 C ATOM 1434 CG ASN A 113 3.540 12.387 5.350 1.00 0.00 C ATOM 1435 OD1 ASN A 113 4.318 13.325 5.523 1.00 0.00 O ATOM 1436 ND2 ASN A 113 3.526 11.670 4.237 1.00 0.00 N ATOM 0 H ASN A 113 0.682 12.186 8.444 1.00 0.00 H new ATOM 0 HA ASN A 113 2.455 14.068 7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.063 11.491 7.234 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.825 11.290 6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.177 11.887 3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.864 10.900 4.134 1.00 0.00 H new ATOM 1443 N LEU A 114 -0.481 12.779 6.261 1.00 0.00 N ATOM 1444 CA LEU A 114 -1.668 12.964 5.443 1.00 0.00 C ATOM 1445 C LEU A 114 -2.922 13.089 6.304 1.00 0.00 C ATOM 1446 O LEU A 114 -3.549 14.147 6.346 1.00 0.00 O ATOM 1447 CB LEU A 114 -1.818 11.800 4.460 1.00 0.00 C ATOM 1448 CG LEU A 114 -2.999 11.912 3.495 1.00 0.00 C ATOM 1449 CD1 LEU A 114 -2.580 12.624 2.217 1.00 0.00 C ATOM 1450 CD2 LEU A 114 -3.563 10.532 3.184 1.00 0.00 C ATOM 0 H LEU A 114 -0.557 12.034 6.954 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.549 13.892 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.900 11.716 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.920 10.876 5.029 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.781 12.503 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.434 12.694 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.225 13.626 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.781 12.063 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.403 10.629 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.788 9.917 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.902 10.061 4.107 1.00 0.00 H new ATOM 1462 N GLU A 115 -3.278 12.015 6.998 1.00 0.00 N ATOM 1463 CA GLU A 115 -4.525 11.982 7.755 1.00 0.00 C ATOM 1464 C GLU A 115 -4.450 12.871 8.996 1.00 0.00 C ATOM 1465 O GLU A 115 -5.337 13.693 9.233 1.00 0.00 O ATOM 1466 CB GLU A 115 -4.890 10.546 8.159 1.00 0.00 C ATOM 1467 CG GLU A 115 -3.694 9.630 8.381 1.00 0.00 C ATOM 1468 CD GLU A 115 -3.125 9.749 9.779 1.00 0.00 C ATOM 1469 OE1 GLU A 115 -3.796 9.324 10.737 1.00 0.00 O ATOM 1470 OE2 GLU A 115 -2.015 10.305 9.919 1.00 0.00 O ATOM 0 H GLU A 115 -2.725 11.160 7.053 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.307 12.370 7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -5.482 10.579 9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -5.524 10.114 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.993 8.597 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.917 9.869 7.654 1.00 0.00 H new ATOM 1477 N HIS A 116 -3.388 12.692 9.780 1.00 0.00 N ATOM 1478 CA HIS A 116 -3.191 13.440 11.017 1.00 0.00 C ATOM 1479 C HIS A 116 -4.378 13.249 11.957 1.00 0.00 C ATOM 1480 O HIS A 116 -5.135 14.185 12.219 1.00 0.00 O ATOM 1481 CB HIS A 116 -2.969 14.932 10.734 1.00 0.00 C ATOM 1482 CG HIS A 116 -2.516 15.710 11.934 1.00 0.00 C ATOM 1483 ND1 HIS A 116 -2.697 17.071 12.060 1.00 0.00 N ATOM 1484 CD2 HIS A 116 -1.895 15.313 13.070 1.00 0.00 C ATOM 1485 CE1 HIS A 116 -2.210 17.474 13.218 1.00 0.00 C ATOM 1486 NE2 HIS A 116 -1.719 16.426 13.851 1.00 0.00 N ATOM 0 H HIS A 116 -2.643 12.026 9.575 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.296 13.051 11.502 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.227 15.037 9.942 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -3.897 15.364 10.360 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -1.594 14.305 13.316 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -2.213 18.490 13.585 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -1.280 16.441 14.772 1.00 0.00 H new ATOM 1495 N HIS A 117 -4.544 12.028 12.447 1.00 0.00 N ATOM 1496 CA HIS A 117 -5.569 11.743 13.441 1.00 0.00 C ATOM 1497 C HIS A 117 -5.273 12.528 14.715 1.00 0.00 C ATOM 1498 O HIS A 117 -4.404 12.154 15.503 1.00 0.00 O ATOM 1499 CB HIS A 117 -5.628 10.243 13.743 1.00 0.00 C ATOM 1500 CG HIS A 117 -6.562 9.489 12.850 1.00 0.00 C ATOM 1501 ND1 HIS A 117 -6.168 8.901 11.668 1.00 0.00 N ATOM 1502 CD2 HIS A 117 -7.884 9.225 12.974 1.00 0.00 C ATOM 1503 CE1 HIS A 117 -7.205 8.313 11.102 1.00 0.00 C ATOM 1504 NE2 HIS A 117 -8.259 8.495 11.875 1.00 0.00 N ATOM 0 H HIS A 117 -3.984 11.221 12.173 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.539 12.047 13.046 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -4.627 9.822 13.647 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.935 10.101 14.779 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -5.221 8.918 11.289 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -8.525 9.532 13.787 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -7.193 7.775 10.166 1.00 0.00 H new ATOM 1513 N HIS A 118 -5.987 13.630 14.898 1.00 0.00 N ATOM 1514 CA HIS A 118 -5.718 14.534 16.005 1.00 0.00 C ATOM 1515 C HIS A 118 -6.477 14.107 17.255 1.00 0.00 C ATOM 1516 O HIS A 118 -7.667 13.787 17.205 1.00 0.00 O ATOM 1517 CB HIS A 118 -6.048 15.992 15.613 1.00 0.00 C ATOM 1518 CG HIS A 118 -7.469 16.418 15.861 1.00 0.00 C ATOM 1519 ND1 HIS A 118 -8.505 16.123 15.003 1.00 0.00 N ATOM 1520 CD2 HIS A 118 -8.021 17.112 16.886 1.00 0.00 C ATOM 1521 CE1 HIS A 118 -9.628 16.614 15.487 1.00 0.00 C ATOM 1522 NE2 HIS A 118 -9.361 17.218 16.628 1.00 0.00 N ATOM 0 H HIS A 118 -6.756 13.919 14.294 1.00 0.00 H new ATOM 0 HA HIS A 118 -4.654 14.485 16.236 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -5.385 16.658 16.165 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -5.825 16.126 14.554 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -7.501 17.508 17.746 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -10.602 16.535 15.027 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -10.043 17.689 17.223 1.00 0.00 H new ATOM 1531 N HIS A 119 -5.774 14.093 18.372 1.00 0.00 N ATOM 1532 CA HIS A 119 -6.376 13.761 19.655 1.00 0.00 C ATOM 1533 C HIS A 119 -6.624 15.049 20.419 1.00 0.00 C ATOM 1534 O HIS A 119 -7.653 15.220 21.071 1.00 0.00 O ATOM 1535 CB HIS A 119 -5.473 12.819 20.472 1.00 0.00 C ATOM 1536 CG HIS A 119 -4.535 11.988 19.645 1.00 0.00 C ATOM 1537 ND1 HIS A 119 -4.964 11.031 18.752 1.00 0.00 N ATOM 1538 CD2 HIS A 119 -3.183 11.988 19.569 1.00 0.00 C ATOM 1539 CE1 HIS A 119 -3.919 10.477 18.167 1.00 0.00 C ATOM 1540 NE2 HIS A 119 -2.823 11.042 18.641 1.00 0.00 N ATOM 0 H HIS A 119 -4.778 14.309 18.419 1.00 0.00 H new ATOM 0 HA HIS A 119 -7.317 13.238 19.483 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -4.889 13.414 21.174 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.103 12.154 21.064 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -2.511 12.617 20.134 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.954 9.693 17.425 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -1.868 10.814 18.364 1.00 0.00 H new ATOM 1549 N HIS A 120 -5.664 15.955 20.311 1.00 0.00 N ATOM 1550 CA HIS A 120 -5.788 17.299 20.858 1.00 0.00 C ATOM 1551 C HIS A 120 -4.990 18.259 19.990 1.00 0.00 C ATOM 1552 O HIS A 120 -5.557 19.062 19.252 1.00 0.00 O ATOM 1553 CB HIS A 120 -5.290 17.353 22.306 1.00 0.00 C ATOM 1554 CG HIS A 120 -6.390 17.375 23.320 1.00 0.00 C ATOM 1555 ND1 HIS A 120 -7.214 18.461 23.516 1.00 0.00 N ATOM 1556 CD2 HIS A 120 -6.807 16.428 24.193 1.00 0.00 C ATOM 1557 CE1 HIS A 120 -8.086 18.184 24.466 1.00 0.00 C ATOM 1558 NE2 HIS A 120 -7.862 16.955 24.894 1.00 0.00 N ATOM 0 H HIS A 120 -4.776 15.780 19.841 1.00 0.00 H new ATOM 0 HA HIS A 120 -6.839 17.587 20.860 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -4.652 16.489 22.494 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -4.671 18.241 22.435 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.387 15.441 24.315 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -8.854 18.850 24.832 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -8.387 16.476 25.626 1.00 0.00 H new ATOM 1567 N HIS A 121 -3.671 18.147 20.073 1.00 0.00 N ATOM 1568 CA HIS A 121 -2.771 18.893 19.210 1.00 0.00 C ATOM 1569 C HIS A 121 -1.386 18.268 19.270 1.00 0.00 C ATOM 1570 O HIS A 121 -0.712 18.207 18.223 1.00 0.00 O ATOM 1571 CB HIS A 121 -2.699 20.369 19.616 1.00 0.00 C ATOM 1572 CG HIS A 121 -2.095 21.253 18.562 1.00 0.00 C ATOM 1573 ND1 HIS A 121 -1.120 20.825 17.684 1.00 0.00 N ATOM 1574 CD2 HIS A 121 -2.328 22.551 18.251 1.00 0.00 C ATOM 1575 CE1 HIS A 121 -0.782 21.817 16.883 1.00 0.00 C ATOM 1576 NE2 HIS A 121 -1.498 22.873 17.206 1.00 0.00 N ATOM 1577 OXT HIS A 121 -0.987 17.823 20.365 1.00 0.00 O ATOM 0 H HIS A 121 -3.198 17.537 20.740 1.00 0.00 H new ATOM 0 HA HIS A 121 -3.155 18.849 18.191 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -3.704 20.724 19.844 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -2.114 20.457 20.532 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -0.722 19.886 17.658 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -3.035 23.209 18.735 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -0.044 21.771 16.096 1.00 0.00 H new TER 1586 HIS A 121